data_2jmk_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 2jmk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.08 107.54 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m -104.96 155.83 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.92 151.64 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mmt -107.39 107.89 18.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.3 106.47 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -92.28 121.89 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -132.54 130.03 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t -134.17 89.38 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.36 173.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.11 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.77 53.79 42.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -130.97 15.44 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.52 160.66 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 135.04 29.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.5 m -122.66 114.15 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -85.12 106.9 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 mt -107.08 109.77 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -84.37 119.05 24.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.7 t -135.29 132.55 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.52 149.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -52.86 -33.39 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -32.63 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -98.42 12.67 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.14 -55.53 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.71 -45.74 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.72 -50.2 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -53.81 -46.76 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.3 -42.29 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -57.91 -44.5 86.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.59 -30.26 61.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -45.03 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -59.21 -21.7 59.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.75 -60.07 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -57.96 -38.55 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.97 -24.9 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -95.92 29.25 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.28 176.53 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -123.81 36.48 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.3 104.28 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -85.17 -16.25 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.68 -46.48 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.1 p -60.23 -19.8 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 mtp -52.89 -51.17 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 tpp -52.91 -53.19 52.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.08 -31.7 65.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -74.39 -48.79 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.33 -31.97 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.7 m -79.05 -50.41 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -83.9 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.24 124.35 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.6 tttp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -101.2 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.96 -23.3 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.17 171.52 26.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.74 151.02 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -131.08 115.78 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -90.32 120.72 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.85 116.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -131.34 119.66 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.67 33.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.08 -52.71 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -93.01 -11.85 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 63.58 56.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -116.74 138.93 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -134.47 122.52 22.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 m -141.33 130.77 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.78 122.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.42 97.01 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.74 151.23 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -125.19 -169.97 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.5 50.79 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.94 154.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.08 156.55 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.18 -39.72 65.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.83 -27.59 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 ttm -63.61 -30.78 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -57.01 -35.52 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -58.99 -53.63 56.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.04 -55.05 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.6 mt -52.51 -50.09 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -58.18 -47.28 83.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.12 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.5 m -59.27 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.54 69.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.03 -38.83 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.13 -28.54 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -57.57 -23.63 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -50.88 -30.72 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -54.96 -36.62 65.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -127.06 25.88 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.82 84.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -51.62 -30.37 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -64.18 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.74 125.65 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -136.79 138.02 40.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -134.02 144.54 48.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.821 0.344 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.89 137.98 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 p -135.73 148.72 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.35 160.34 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.4 mmt -113.31 130.47 56.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -115.87 106.3 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -93.75 102.52 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -107.44 128.91 62.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -134.02 108.83 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.21 149.76 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 111.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.35 44.37 8.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 m -160.45 140.5 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -51.7 157.01 2.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 153.66 68.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -128.02 118.63 23.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.15 106.79 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.56 110.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.05 130.63 35.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -137.97 142.9 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.3 151.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.7 tmm? -52.92 -51.24 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.51 -26.11 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -90.9 4.37 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -62.26 -54.53 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.85 -45.26 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.41 -49.78 76.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -55.91 -49.28 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -60.67 -42.26 96.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t -57.73 -50.51 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -29.95 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -44.96 88.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -58.82 -21.6 56.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.76 -59.31 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.9 tt -57.31 -35.52 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 tp -62.93 -28.92 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.07 -26.05 64.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.17 -174.75 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -126.74 30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.97 106.55 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -30.68 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.32 -23.9 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.19 -20.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mmm -52.99 -51.99 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptm -52.17 -47.2 65.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -58.59 -41.78 86.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.32 -47.2 74.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -56.41 -47.94 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.5 m -73.92 -27.05 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.25 -48.06 74.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -88.16 -55.69 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.97 104.14 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 tttp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.338 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.07 141.96 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 p -116.09 -24.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.97 169.45 29.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -137.13 152.22 49.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.6 t -130.5 113.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.71 119.52 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.08 109.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -124.83 94.18 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.75 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.74 -52.83 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -98.76 9.63 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 51.74 48.04 23.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.0 124.14 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -127.82 120.1 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -141.47 134.88 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.06 132.26 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.7 m -144.47 103.32 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -150.34 148.84 29.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -122.69 -170.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.34 54.04 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.77 -175.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -97.37 153.12 18.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.08 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 ttp -56.94 -27.96 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -59.22 -25.97 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -68.47 -55.38 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.4 p -65.68 -34.82 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.8 mt -70.29 -45.67 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -66.24 -37.56 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.97 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.5 m -63.92 -37.26 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.62 -30.82 59.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.75 -35.82 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -27.64 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -57.44 -23.6 50.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -50.67 -31.07 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.13 -37.41 54.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -127.04 25.98 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 79.85 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.54 -30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -72.56 79.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.6 p -119.39 136.15 57.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.5 p -140.29 134.04 30.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -99.23 117.21 33.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p -120.48 149.07 42.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.03 153.32 37.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.9 mmt -106.38 124.1 49.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -109.34 106.91 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.92 115.52 28.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.52 125.26 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -131.17 137.37 48.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ttp -101.28 162.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 117.66 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.76 51.67 28.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -160.98 146.06 14.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -64.78 160.96 49.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.72 40.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -111.14 115.26 29.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.31 106.9 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.87 104.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.03 130.91 36.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.7 t -143.8 153.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 t -56.71 154.2 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -44.87 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.99 -50.36 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -58.08 -21.45 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.62 -49.76 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.69 -51.6 66.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -56.17 -47.13 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -49.85 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.78 -42.6 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -57.29 -47.6 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -72.8 -30.12 63.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -43.11 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -59.41 -21.8 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -57.23 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 tt -60.12 -33.75 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.89 -26.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.09 -27.81 35.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.14 -173.49 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -127.35 26.22 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.79 115.31 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -24.72 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.39 -26.33 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.05 -25.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mtp -53.01 -52.09 59.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.1 ptm -57.7 -45.13 86.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.44 -38.72 90.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -65.74 -48.62 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.5 mt -60.14 -45.68 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -71.54 -28.01 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -68.76 -48.05 64.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -82.92 -59.12 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -72.3 128.34 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.42 -22.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.52 164.94 37.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -149.65 142.79 25.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.03 124.89 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.58 115.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.2 t -127.13 110.78 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -120.61 117.39 27.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.99 -38.35 32.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.88 -49.56 62.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.47 -8.95 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 62.98 46.07 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.41 134.01 47.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.52 115.4 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 m -141.81 103.85 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -107.03 130.54 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.9 m -150.15 106.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -129.8 175.25 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 t -51.16 139.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 91.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 pt -87.81 -175.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.2 154.5 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -73.47 -36.67 65.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.67 -44.33 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.0 tpt -77.05 -27.73 54.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -56.72 -37.7 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.89 -49.23 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.09 -52.95 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.49 -46.49 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.5 -40.59 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.14 72.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -60.75 -50.63 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.28 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.91 -33.98 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -59.1 -30.27 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -56.98 -23.57 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -50.0 -31.59 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -52.02 -35.19 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -127.06 26.04 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.71 81.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.51 -30.03 18.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 70.51 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.71 126.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.97 151.31 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 p -138.17 151.0 47.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.6 mt -110.22 108.96 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.3 m -114.53 135.64 53.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.14 147.01 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mmt -108.17 121.96 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.81 106.35 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -95.85 103.02 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -111.67 128.12 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -134.13 123.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.77 145.04 28.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 109.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 32.35 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t -154.76 151.06 28.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -62.43 160.63 31.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.5 40.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.7 m -112.33 114.59 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 m -85.09 106.79 16.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.1 mt -108.65 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -87.21 116.4 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.78 128.57 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.17 151.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 tpt -55.91 -26.45 47.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.36 -25.65 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.7 9.47 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.16 -56.63 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.46 -47.86 78.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.28 -48.02 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.5 t -55.3 -49.02 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -60.3 -42.58 95.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -57.3 -50.37 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.03 -30.0 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.16 -45.29 92.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.28 -21.44 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -56.83 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 tt -60.56 -38.0 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 tp -59.25 -27.84 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -103.8 29.55 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -121.78 -5.79 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 51.75 30.33 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -103.53 94.23 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -85.12 -16.32 40.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.82 -27.71 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.14 -16.21 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmm -52.89 -50.47 63.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptp -51.84 -47.11 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.11 -37.15 86.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.78 -43.54 88.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.6 mt -68.11 -41.59 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.2 m -73.44 -26.37 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -75.95 -48.0 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.87 -56.12 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.41 131.1 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.53 152.14 45.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.4 -26.59 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 154.76 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -118.72 138.43 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -131.12 116.18 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.76 132.28 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -143.48 109.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.4 112.93 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.52 62.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -97.62 -9.42 26.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 63.59 53.15 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -127.64 136.34 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.33 131.64 36.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.62 106.78 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.12 131.47 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 t -150.16 104.18 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.37 175.15 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -51.11 146.38 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.26 86.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 pt -83.93 -174.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.86 153.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.16 -41.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -51.61 -41.7 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -34.5 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -56.9 -47.18 81.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.15 -41.4 71.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.82 -55.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.2 mt -57.67 -40.55 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.9 -40.16 91.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.2 71.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 m -62.38 -46.92 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.31 72.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.94 -34.26 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -28.43 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -55.82 -21.48 19.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -47.18 -30.13 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -50.82 -37.32 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -128.14 25.2 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.61 79.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -51.33 -30.07 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.31 89.26 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.6 t -126.78 130.72 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -132.15 137.41 47.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.5 p -134.14 135.23 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.45 108.32 20.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.5 p -111.6 164.39 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.26 141.61 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.7 mmt -100.79 117.28 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.96 106.44 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -94.69 103.59 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.9 tt -110.82 127.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.13 95.19 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ttp -51.9 161.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 118.6 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.36 52.93 45.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 p -153.9 141.07 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.828 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -51.74 156.85 2.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 139.69 40.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.9 m -116.81 115.48 25.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -84.77 106.9 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.9 mt -110.14 102.71 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.12 105.94 15.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.25 131.84 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.92 156.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.58 -35.7 80.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.01 -25.59 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -121.49 14.6 11.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.41 -56.6 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.93 -46.17 78.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.19 -47.53 84.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t -55.65 -49.68 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -60.19 -42.47 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.9 m -57.1 -50.38 72.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.03 -34.04 77.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -43.43 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -58.14 -21.98 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -61.62 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.0 tt -52.88 -33.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 tp -57.93 -28.99 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.15 -29.41 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -104.32 150.33 24.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -104.63 50.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.77 115.84 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.04 -26.02 27.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.45 -35.21 75.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.42 -24.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -51.98 59.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 ptm -52.13 -47.07 65.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.04 -37.28 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -67.08 -53.44 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.0 mt -55.18 -44.23 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -73.36 -29.9 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -64.94 -47.8 76.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -85.33 -57.68 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 110.96 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 mttt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 118.88 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.76 -23.91 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 115.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.63 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.07 132.2 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.7 122.78 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.9 t -135.39 109.94 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -133.26 95.95 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.04 66.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.5 -52.76 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -98.04 9.55 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt 51.63 43.59 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.37 115.43 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.9 mmt -126.28 124.22 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -141.06 152.63 44.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.03 127.95 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 105.63 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -131.35 170.22 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.69 128.6 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.78 106.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 pt -103.61 -175.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.53 147.52 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.12 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -51.78 -46.0 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -27.95 55.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -56.8 -41.84 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.33 -55.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.57 -55.37 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -54.75 -34.76 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.68 58.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 m -60.47 -35.08 75.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.85 -47.55 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.82 -24.5 66.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -61.38 -26.48 67.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -55.42 -25.95 38.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.81 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -52.99 -37.39 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -22.15 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.43 50.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -130.35 135.97 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -64.03 108.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -112.58 129.28 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -135.26 109.91 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 p -101.18 153.65 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.49 107.91 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.49 144.74 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.73 150.03 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.88 113.48 25.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.62 106.27 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -92.53 106.84 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 tt -118.41 131.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.2 104.87 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ttt -51.86 169.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.21 102.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.07 58.35 14.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -126.96 -79.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 177.22 156.32 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.58 13.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -121.72 107.42 12.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.07 106.79 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -105.69 106.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -84.97 126.17 33.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.97 130.05 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 m -58.71 151.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttp -55.08 -33.91 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.25 -24.25 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.2 mtt85 -114.07 19.16 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -56.24 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.1 tp -56.91 -47.15 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -59.56 -49.86 76.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.62 -42.26 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -58.49 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.2 -33.84 76.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -58.44 -21.96 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.36 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -54.72 -36.75 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 tp -61.75 -28.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.46 -36.66 74.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -95.64 158.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -102.81 48.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -88.1 107.24 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.8 m -81.19 -51.29 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -55.79 -26.17 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.76 -23.86 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.05 -52.12 65.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 tpt -54.72 -56.76 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.21 -36.25 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -68.05 -44.74 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -41.08 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.5 m -78.44 -26.11 46.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -70.29 -47.92 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -88.5 -49.33 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 145.09 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.28 131.21 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.63 -22.16 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.01 154.61 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.9 137.21 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.02 119.54 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.33 130.68 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -146.8 110.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -131.01 111.45 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.96 55.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.98 -52.83 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -88.31 1.4 54.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 51.78 51.52 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.58 123.08 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.99 122.46 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.81 154.34 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.49 133.03 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.36 98.06 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -97.14 134.82 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -126.61 131.54 51.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.49 63.19 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 pt -130.96 178.48 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -97.97 160.21 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.07 -40.77 59.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.74 -51.84 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -27.87 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -56.92 -31.48 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -60.49 -55.12 37.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.15 -50.16 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.49 -50.04 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -59.06 -49.34 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.05 -48.66 70.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -59.02 -53.89 53.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.26 -26.38 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.02 -42.01 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -29.32 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.3 -23.74 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -51.15 -30.46 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -51.84 -40.55 60.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.04 25.97 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.58 83.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -51.48 -50.85 59.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.57 88.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.72 124.74 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.9 118.08 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 60.6 p -110.14 116.67 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp -74.77 140.21 43.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.5 m -141.38 165.45 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.95 144.78 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.32 140.6 32.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.87 106.38 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -94.75 97.87 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -103.09 129.34 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -133.48 94.91 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 148.33 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 121.95 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 49.93 12.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 m -160.03 179.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.97 160.74 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.44 17.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.1 m -110.55 119.3 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 mt -107.55 125.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 p -104.12 125.45 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.72 137.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.07 156.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -73.22 -11.49 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.34 -17.15 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -124.31 9.2 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -54.28 -37.13 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.18 -52.2 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.95 -43.96 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -63.65 -47.77 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.74 -42.77 93.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -61.48 -52.33 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.39 -35.44 75.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -44.18 92.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.55 -21.91 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -60.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt -54.67 -33.04 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 tp -56.1 -27.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.26 -25.44 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -95.58 166.05 12.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.97 43.2 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.4 93.4 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -81.02 -28.86 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.41 -33.43 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.78 -16.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.2 mtp -52.91 -50.58 63.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -51.86 -47.12 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -58.48 -38.88 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -65.06 -52.67 54.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -60.02 -40.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 m -74.26 -26.2 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -78.41 -48.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -80.01 -54.84 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.25 32.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -110.09 131.99 54.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.29 -16.47 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.85 169.19 29.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -137.11 133.18 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -111.73 126.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.55 117.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.0 t -128.01 109.85 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -122.43 99.06 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.69 63.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -71.61 -52.69 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -80.81 -11.73 59.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 63.92 52.85 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.32 122.48 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.14 122.78 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -141.5 107.49 5.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.9 m -93.93 137.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 t -126.25 96.77 4.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -103.07 135.41 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -139.44 145.33 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.39 55.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.97 159.87 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.34 154.01 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.91 -29.91 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.1 -47.26 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.0 tpp -57.7 -28.05 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -56.92 -37.4 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.9 -55.1 38.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.69 -56.03 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -53.66 -47.72 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -58.02 -41.79 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.02 94.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -62.78 -43.32 99.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.16 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.47 -31.52 62.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -61.09 -26.72 67.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -56.51 -23.21 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.77 -29.8 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -50.69 -44.12 57.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -127.27 26.26 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.38 88.51 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -60.5 -25.09 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -102.35 95.18 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.4 145.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -151.02 149.95 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.1 p -141.87 127.27 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.784 0.326 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.91 143.78 45.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.77 147.77 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.72 141.33 35.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 mmt -94.01 108.86 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.04 106.4 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -94.33 107.5 19.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.5 tt -113.86 129.03 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.14 93.38 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 154.09 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 108.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 45.01 6.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -152.99 153.64 33.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -66.6 160.85 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 121.69 8.38 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.9 m -101.26 112.93 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.22 106.71 14.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.48 108.19 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.84 125.04 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.92 151.05 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.21 154.34 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.43 -17.99 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.95 4.73 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -119.98 -12.31 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.6 -37.53 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.73 -53.59 38.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.88 -43.17 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.93 -42.49 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -59.28 -50.66 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.59 -30.18 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -45.96 83.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.09 -21.42 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.65 -61.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -56.36 -39.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.61 -29.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.27 -25.96 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -107.29 -173.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -125.28 26.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.8 102.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.03 -28.98 25.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -71.8 -25.02 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -88.22 -19.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 mtp -52.97 -51.97 59.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 ptm -51.83 -47.76 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -38.1 82.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.02 -53.77 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.2 mt -54.98 -43.57 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -74.5 -28.51 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -65.8 -47.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -87.09 -56.09 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.59 145.93 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.08 124.25 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.91 -19.0 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.47 166.56 39.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.87 144.2 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.0 t -131.06 118.14 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.46 115.48 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -130.01 110.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -132.14 105.38 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.75 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -64.67 -52.93 54.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -98.74 6.8 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 53.13 13.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.99 125.15 53.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 122.84 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -141.56 146.14 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.59 128.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.59 112.39 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -115.51 155.92 26.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.41 121.34 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.32 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -126.85 148.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.1 156.45 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.01 -60.13 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -33.59 67.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -36.35 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -56.93 -37.25 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.11 -55.07 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.75 -56.13 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.1 mt -54.45 -48.36 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.23 -39.9 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.02 72.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -60.89 -36.67 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.63 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -74.01 -34.31 64.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -26.76 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -56.55 -23.4 39.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.64 -31.42 10.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -52.95 -38.99 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -127.15 26.16 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.43 83.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -51.07 -30.86 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.77 86.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.47 125.77 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -135.78 109.94 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.32 137.06 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -83.38 107.44 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -119.56 161.42 20.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.03 140.37 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 132.17 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -134.81 106.4 6.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -94.05 93.64 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -99.6 130.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.11 146.34 50.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.7 ttt -114.97 165.67 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 117.97 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.77 37.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -160.08 131.16 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.54 157.21 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.93 15.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -97.75 119.05 35.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.47 106.81 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -107.37 130.63 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 m -105.82 111.69 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.42 129.26 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.94 146.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.59 -37.94 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.7 -16.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.16 19.27 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -56.56 18.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.27 -50.92 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.91 -51.0 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -61.45 -42.13 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -58.76 -47.61 84.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -33.31 74.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -44.12 93.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.91 -21.84 58.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -59.73 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 tt -55.76 -34.37 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tp -67.62 -25.81 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.31 -25.51 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.57 157.08 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -92.32 52.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.95 102.86 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -32.57 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.98 -25.76 61.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -81.42 -22.81 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.4 mmm -53.19 -52.02 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 tpt -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.09 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.25 -51.0 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.4 mt -54.91 -44.55 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t -75.37 -28.52 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -66.7 -48.09 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -86.33 -54.72 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.0 96.21 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 tttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.75 144.76 34.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.28 -0.83 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.81 158.24 8.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -129.94 126.98 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.5 t -115.62 111.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 t -94.3 115.36 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.6 t -135.82 116.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -135.61 122.91 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.33 70.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.3 -53.86 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -99.68 13.51 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.5 pttt 39.75 54.84 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.9 mt -112.36 134.81 53.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -133.83 116.19 15.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -139.52 125.61 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.6 m -115.42 108.96 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -105.93 98.24 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -100.64 135.67 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -73.73 -169.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -51.55 103.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 pt -129.5 -178.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.2 160.02 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.1 -40.18 60.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.74 -54.08 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.75 68.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.93 -25.76 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -55.49 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 p -63.96 -33.81 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.94 -56.08 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -59.83 -33.28 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.29 47.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.4 m -62.35 -34.26 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.19 56.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.37 -33.98 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -31.03 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -56.96 -23.48 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.79 -31.03 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -51.63 -41.04 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 26.2 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.51 83.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -51.75 -29.85 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 91.73 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.37 122.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -129.55 159.01 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 p -147.31 159.88 43.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.05 109.46 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -107.22 156.03 19.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.77 149.15 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.2 mmt -107.97 110.34 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -104.77 106.3 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -91.1 119.47 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.51 123.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.09 97.69 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.53 173.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 -65.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.85 64.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -160.71 151.57 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -68.3 160.77 73.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.63 30.91 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 m -118.27 122.05 41.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.02 106.67 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 mt -102.77 104.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -81.2 114.97 20.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.85 132.37 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.17 155.76 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -60.71 -22.47 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.75 -26.04 59.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.7 18.35 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.34 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -48.96 79.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -52.96 -51.12 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -57.76 -47.47 82.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.37 -42.23 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -58.91 -51.31 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.28 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.47 -21.69 64.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.47 -57.68 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -59.85 -37.84 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.28 -28.55 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.6 -25.93 64.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.22 -174.75 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.3 29.57 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -77.97 101.12 6.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -26.85 26.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -73.64 -24.67 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -87.0 -19.33 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mmm -52.85 -52.13 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -53.59 -44.07 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.49 -38.02 83.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.97 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.56 -39.85 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 t -74.42 -25.79 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.58 -48.02 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.86 -54.15 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.34 132.16 35.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -78.92 117.91 20.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.91 -24.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.41 160.19 21.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.61 143.82 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.28 124.38 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.65 121.29 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.26 110.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -122.16 104.98 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.86 -38.87 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -52.62 -53.05 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -98.98 15.9 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp 38.6 55.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.8 mt -112.0 137.57 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.69 120.61 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.64 130.83 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.8 m -130.22 96.9 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -100.32 136.28 40.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.7 m -130.75 131.37 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.34 61.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.29 175.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 159.83 19.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.96 -40.74 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.35 -52.5 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.15 -28.68 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -57.77 -39.21 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -55.09 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.2 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.5 mt -54.95 -38.54 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -65.69 -42.96 90.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.93 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -49.39 77.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.95 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -74.26 -40.27 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -54.5 -31.0 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.13 -25.33 45.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -14.31 60.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -85.18 -11.56 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -120.37 -22.06 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.96 -26.31 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 59.02 21.31 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -144.13 79.25 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 p -116.84 136.6 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -139.84 118.99 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -107.57 137.28 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.17 118.93 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.98 162.38 17.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.94 152.11 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mmt -107.98 122.11 46.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -105.68 145.9 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -131.92 92.81 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -102.61 130.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 93.02 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.2 ttt -52.37 166.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.51 117.29 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.88 53.63 39.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -153.51 140.34 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -52.19 160.67 1.17 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.42 14.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.8 m -105.53 115.79 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 106.82 17.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mt -108.43 110.13 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.32 130.13 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.03 137.67 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -59.89 160.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -13.0 60.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.2 -24.53 32.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -121.38 12.34 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.84 -55.56 18.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -55.31 -42.83 74.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.06 -50.49 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.01 -44.23 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.05 -42.73 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -57.27 -50.55 72.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.39 -39.59 74.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HA ' HG23 ' A' ' 36' ' ' ILE . 1.5 tp -53.93 -41.94 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.41 -21.09 66.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -29.75 27.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.4 HG23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tt -91.34 -31.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -21.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.81 -24.91 55.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -79.79 179.15 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -115.87 -20.45 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -51.05 103.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.02 -22.05 29.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.92 -13.8 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.58 -23.91 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.2 mmm -53.03 -51.9 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptm -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.8 -36.86 83.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.36 -40.45 89.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.5 mt -73.45 -37.45 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.1 t -76.47 -25.05 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -82.02 -46.31 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -81.21 -50.58 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.54 135.69 33.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.8 m -103.04 125.54 49.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.98 -21.84 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.37 -169.4 33.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -149.98 161.06 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.7 t -131.31 132.44 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.4 t -104.26 125.67 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.3 t -139.41 122.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -138.41 119.45 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.84 -25.43 35.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -67.07 -52.79 37.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.68 4.37 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 51.84 59.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.59 122.17 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -132.37 111.32 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 m -141.58 108.57 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.2 m -98.76 136.33 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m -141.52 107.17 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.9 161.47 31.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -54.93 170.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.0 107.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.1 pt -90.58 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.32 177.63 8.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.13 -60.09 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.71 -47.18 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -38.72 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -56.81 -40.05 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -60.56 -55.09 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.73 -56.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.3 mt -53.82 -42.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -41.56 98.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.21 -50.15 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -60.83 -48.94 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.12 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -29.17 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.42 -23.24 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -31.82 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -51.96 -37.97 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -127.31 26.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.52 80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -50.67 -31.13 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 77.51 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 p -113.14 138.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.54 147.3 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 p -146.16 131.41 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.7 mt -106.68 107.54 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.5 m -107.52 162.49 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.69 155.4 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 108.84 18.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.38 106.37 16.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -94.14 121.53 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 tt -129.98 127.32 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 92.45 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.8 ttp -51.92 168.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 107.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.72 49.43 23.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.9 t -146.22 136.93 24.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -51.6 157.01 1.98 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -80.46 120.61 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 106.86 17.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mt -111.17 103.52 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.58 120.22 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 t -130.48 130.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.53 151.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -33.52 67.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -9.47 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -118.38 17.32 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -53.63 23.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -52.25 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.0 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t -53.38 -56.65 15.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -42.06 97.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -54.01 -44.03 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -80.02 -33.16 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.11 -21.74 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.13 -60.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 tt -56.9 -38.15 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 tp -57.8 -28.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -72.36 -28.39 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -94.2 164.57 12.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.93 44.66 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -89.65 106.5 18.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.02 -28.76 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.81 -36.04 72.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.64 -24.3 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtp -53.15 -51.96 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.8 tpp -53.75 -54.03 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.14 -35.46 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.15 -44.27 80.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.12 -40.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -76.26 -26.67 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -73.8 -44.08 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.09 -55.55 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.68 146.61 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 tttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.59 126.3 31.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -117.47 -11.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.29 147.55 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -134.07 142.87 47.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -130.81 117.25 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.9 t -95.34 116.06 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.7 t -123.73 112.32 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -125.51 111.66 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.74 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.51 -52.66 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -82.97 -14.86 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 mttm 63.61 54.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt -122.88 124.15 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 mmt -122.1 120.07 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -141.63 133.99 28.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 m -126.12 136.34 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.9 m -135.85 96.92 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -99.96 135.65 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.43 125.95 49.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.83 86.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 pt -138.74 -178.4 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.04 167.22 11.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.07 -36.13 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.1 -26.45 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.11 -40.44 45.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -63.45 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -70.21 -55.72 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.61 -38.37 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.99 -43.12 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.57 -38.96 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.84 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.0 m -61.18 -41.73 97.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.55 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.29 -31.49 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.13 -26.7 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -56.12 -23.45 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -49.96 -30.79 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -54.43 -38.04 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -127.11 26.09 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.4 83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -50.81 -30.47 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -70.12 83.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.1 t -126.14 126.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -133.74 146.57 50.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.4 p -138.46 145.38 40.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.813 0.339 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.27 107.61 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 150.4 30.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.79 145.03 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 129.83 45.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -124.83 106.24 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -94.07 100.24 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 tt -111.0 127.9 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -134.1 95.78 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.63 174.25 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.09 101.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.08 32.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -133.02 11.76 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.03 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.53 16.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -115.91 115.02 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.96 106.86 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.61 118.43 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.63 130.24 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.64 134.78 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.89 148.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptm -52.93 -33.36 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.35 -29.68 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -97.03 9.19 42.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.88 -56.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -55.79 -42.35 75.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.94 -49.64 73.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -54.62 -46.3 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.38 -42.56 96.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -55.91 -51.05 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.25 -38.93 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.24 -40.64 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -67.76 -20.79 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.57 -29.37 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 tt -91.51 -32.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -23.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.99 -25.48 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.74 179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -123.1 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -51.85 129.13 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.11 -18.6 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.32 -22.58 53.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 p -89.78 -27.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mtp -56.42 -52.15 65.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.27 -58.76 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.82 -35.88 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.84 -52.04 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.7 mt -55.2 -45.13 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.01 -28.33 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.24 -47.96 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.41 -56.6 3.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 117.21 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.86 129.47 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.78 -21.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.66 162.58 28.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -136.11 140.3 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 80.2 t -131.15 127.07 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -106.4 115.96 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -127.43 117.08 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -131.94 105.09 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.73 -23.64 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.04 -50.81 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -98.6 19.66 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 38.71 47.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.0 mt -103.63 127.61 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 mmt -137.85 111.64 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -141.53 127.12 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 m -123.97 123.69 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.65 102.6 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -126.98 173.07 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -51.64 151.93 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.6 101.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 pt -97.54 -177.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.08 164.66 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.03 -32.6 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.1 -40.17 67.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtt -77.04 -33.08 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -56.93 -35.2 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.63 -55.06 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.73 -51.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.31 -39.88 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -66.13 -45.91 79.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.97 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 m -59.24 -49.9 76.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.66 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -68.79 -36.57 78.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -63.35 -32.48 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.17 -23.79 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.82 -30.76 15.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -51.86 -36.79 49.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -127.09 25.42 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.81 78.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -51.78 -29.93 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -72.98 77.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.71 128.85 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -138.06 111.16 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -109.36 121.99 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.3 mt -91.39 108.27 19.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.2 p -118.74 169.37 9.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.58 161.84 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.5 mmt -107.24 133.69 51.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.25 106.38 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.14 107.74 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.8 122.22 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.98 123.38 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.0 152.26 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 114.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.2 47.04 7.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -168.22 136.12 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -51.78 156.93 2.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.1 69.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -120.87 118.84 30.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.49 106.8 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 mt -110.67 107.7 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.99 129.69 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.9 145.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -52.06 158.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -25.08 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.42 -25.55 54.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -107.43 -8.53 16.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.65 -46.46 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.77 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.81 -46.57 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.16 -49.32 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.92 -42.48 94.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -57.89 -48.7 79.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.54 -33.25 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -43.82 98.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -58.05 -21.66 46.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -61.23 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.74 -33.42 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tp -55.88 -29.11 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -111.96 29.71 7.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.63 -4.98 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 52.04 30.01 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.0 94.37 7.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.8 p -85.03 -48.48 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.97 -27.9 61.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -87.86 -20.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -52.19 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptp -52.08 -45.74 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -64.85 -42.22 95.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.15 -35.24 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.86 -48.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -69.08 -20.32 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -85.18 -46.46 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -80.35 -59.21 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 143.67 55.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -69.19 135.78 51.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -113.94 -20.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.18 157.9 18.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -133.19 143.84 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -120.12 137.95 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.9 t -114.3 123.3 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.2 t -134.9 109.88 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -122.15 94.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -67.95 -43.91 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.35 -0.15 44.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm 56.73 51.62 10.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -128.64 123.75 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.4 mmt -116.77 130.77 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.48 154.66 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.19 136.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 m -134.56 96.91 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -104.31 135.12 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -134.88 135.04 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.32 64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.99 169.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.68 160.15 26.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.8 -41.93 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -60.29 -44.47 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.48 -32.83 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -60.57 -25.8 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -70.09 -55.42 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.73 -37.43 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.4 -49.76 68.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -62.42 -41.04 98.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.34 -49.59 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -61.31 -40.25 93.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.82 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.5 -34.81 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.75 54.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.43 -23.1 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.75 -30.75 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -51.99 -29.98 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -117.31 -22.31 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -144.19 85.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.27 -28.94 13.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 77.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.83 143.29 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -138.74 110.02 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.0 p -105.87 119.75 39.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.31 107.57 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -130.55 172.0 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 155.25 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.44 122.47 42.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.08 106.48 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.39 111.91 23.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 tt -124.95 122.17 62.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.56 100.64 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.15 171.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.49 20.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.34 61.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -141.66 17.47 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.86 43.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -130.04 117.58 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.12 106.77 18.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -106.92 107.91 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.2 117.97 23.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.6 132.92 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.98 145.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -31.17 58.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.17 -27.4 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -110.62 15.62 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.77 -56.51 11.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.42 -43.36 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.93 -51.02 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -54.81 -48.98 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.55 -42.24 98.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -56.28 -49.55 73.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.1 -34.03 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -59.2 -21.32 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -57.84 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.08 -34.12 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 tp -61.68 -27.51 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.0 -25.53 66.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.18 164.82 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -112.44 44.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.7 109.85 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -85.16 -21.22 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.76 -29.57 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.4 mmm -52.93 -51.89 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.9 ptm -56.12 -45.75 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.7 -41.53 81.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.93 -48.77 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mt -55.14 -48.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t -72.72 -27.76 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.08 -48.0 75.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -87.24 -57.2 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.07 128.01 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.924 0.393 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 128.97 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -108.72 -23.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.83 160.32 24.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -127.48 140.65 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.83 106.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -89.42 115.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.01 109.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -126.15 118.95 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.07 -38.55 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -54.3 -53.07 58.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' LYS . 33.4 mttm -98.92 16.11 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 37.82 44.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.2 mt -102.97 115.22 30.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.13 95.29 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -122.27 115.89 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.6 m -108.22 135.05 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.8 t -150.21 107.34 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -134.83 172.81 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.5 p -51.28 142.43 13.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.52 89.05 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.4 pt -83.63 -175.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.02 158.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.9 -42.09 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.17 -45.94 65.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.1 ttt -77.08 -39.42 49.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -56.73 -49.8 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -51.9 -44.44 63.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.3 -54.68 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.51 -48.39 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -58.28 -45.33 88.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -58.54 -48.41 80.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.53 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.17 -35.32 68.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -56.84 -30.47 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -57.45 -23.12 47.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -49.2 -31.47 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -51.57 -39.97 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -127.29 26.07 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.66 89.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -62.5 -17.26 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -109.85 81.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.86 139.17 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.08 151.17 33.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 p -133.88 145.96 50.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.92 107.49 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.11 144.53 46.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.35 144.87 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.5 mmt -94.12 129.47 40.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -123.33 106.33 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -94.6 98.17 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -105.48 129.09 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.24 116.68 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttp -75.83 167.66 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 120.29 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.67 53.44 38.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.7 m -149.45 175.48 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -92.42 160.73 34.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.0 m -83.21 116.92 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 106.87 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 mt -111.68 113.87 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.41 117.21 28.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.61 131.22 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.92 147.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ttp -56.28 -26.97 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -113.82 12.31 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -68.05 -56.37 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.91 -45.03 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.29 -49.14 78.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 p -54.68 -46.06 74.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.84 -42.64 97.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -56.73 -50.19 72.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -70.96 -39.84 72.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.08 -41.47 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -67.07 -20.79 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.32 -29.82 26.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 tt -91.1 -32.05 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tp -60.92 -23.72 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -52.19 -29.86 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.65 163.01 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.1 46.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -85.03 -23.9 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.65 -28.44 69.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.91 -22.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.9 mtp -52.91 -52.04 59.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptm -53.97 -46.79 71.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -58.67 -40.93 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.75 -49.51 65.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.5 mt -54.99 -46.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -74.89 -27.27 60.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.79 -48.02 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.28 -54.59 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 111.51 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 142.35 41.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -117.17 -16.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.35 159.9 23.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -127.3 132.79 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.2 t -131.17 133.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.38 115.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.49 112.58 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -129.33 110.06 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.34 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -93.52 -13.6 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt 63.51 57.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -140.88 118.8 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -127.35 98.44 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 151.36 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.31 128.26 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -147.22 96.72 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.66 172.6 7.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 t -51.29 144.6 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -62.28 104.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.0 pt -100.86 -178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.08 165.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -75.06 -40.03 60.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.03 -53.08 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 mtp -57.42 -32.12 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -63.09 -25.75 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -69.75 -55.48 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.16 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.43 -43.82 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -65.54 -41.33 93.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.14 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.5 m -61.13 -41.95 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.69 82.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.16 -34.16 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -62.72 -31.75 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -56.05 -21.79 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.69 -28.59 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -51.34 -30.8 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -127.69 0.39 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.62 78.73 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -51.14 -30.11 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -72.35 79.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.17 134.63 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -142.09 136.72 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.6 p -132.29 148.72 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.0 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.9 tp -121.02 140.48 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -145.98 161.82 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.42 145.34 45.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.8 mmt -93.96 123.17 37.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.03 110.3 20.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.51 118.87 34.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 tt -129.62 127.22 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -134.02 94.86 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 ttp -64.23 165.59 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.07 51.59 49.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -135.71 8.15 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 m80 62.38 160.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.1 m -115.16 118.13 32.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -86.96 106.76 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mt -108.15 114.52 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -88.04 123.89 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.07 147.95 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.99 155.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -15.56 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -110.61 2.24 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -118.68 -16.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -48.98 -34.04 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -55.03 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.53 -41.75 77.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -61.58 -48.81 79.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.75 -42.53 93.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 t -60.42 -49.93 75.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.66 -29.82 69.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -46.31 77.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -57.53 -21.54 38.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -60.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -55.12 -35.97 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 tp -53.67 -28.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -71.71 -35.25 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -83.48 -176.45 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -131.27 29.54 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.23 108.84 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -84.93 -55.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.3 -25.01 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.51 -20.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.9 -51.98 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.35 73.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -61.46 -42.57 98.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -66.48 -48.67 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.4 mt -56.15 -47.07 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 t -73.84 -27.23 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -65.57 -47.92 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -87.98 -55.78 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.86 152.23 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 tttm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.56 139.06 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.9 -5.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.18 156.34 8.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -123.24 120.38 32.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.7 t -100.68 136.26 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.68 115.09 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.27 109.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -115.82 111.78 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.71 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.78 -51.19 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -98.68 -5.06 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 59.63 44.06 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mt -103.26 134.59 46.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.54 112.51 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -142.11 103.8 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.5 m -111.04 137.41 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.4 p -119.03 96.88 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.11 137.64 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -81.08 -173.45 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -52.7 107.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.78 179.73 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -70.49 151.53 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.44 -42.95 95.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -63.9 -49.21 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.38 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -56.64 -37.53 70.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -62.31 -52.97 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.59 -56.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt -57.3 -38.03 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.33 -35.87 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -49.69 31.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -60.76 -38.93 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.53 61.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.49 -32.0 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -54.33 -26.73 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -55.91 -23.19 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -48.62 -31.78 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -127.16 26.27 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.0 82.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -56.59 -21.64 28.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 70.2 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.64 135.08 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -146.0 147.2 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.9 p -140.26 142.56 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -100.41 110.2 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p -109.59 161.55 15.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.23 140.44 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.84 122.64 42.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -119.69 106.38 12.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -95.66 101.6 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -109.75 129.92 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.19 90.41 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.87 102.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.61 50.53 60.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -125.93 14.32 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.44 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.77 23.98 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -119.63 115.02 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.94 106.88 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.73 114.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -89.52 115.34 26.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.96 137.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.84 148.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ttp -52.95 -52.84 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.8 -25.88 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -91.64 7.57 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.15 -55.85 21.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -55.74 -38.92 70.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.41 -50.41 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -48.93 76.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -57.81 -50.73 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.89 -30.5 69.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -45.46 88.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -58.57 -21.54 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.47 -61.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -38.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 tp -55.44 -29.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -95.69 31.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.23 150.93 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -87.94 54.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.58 87.21 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.5 p -84.99 -50.96 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.11 -23.32 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.37 -15.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -52.9 -52.06 59.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -55.65 -45.93 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.5 -36.06 82.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.41 -38.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 t -76.62 -25.2 53.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -79.35 -48.06 14.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.12 -50.12 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.69 170.19 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.822 0.344 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 102.14 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.2 -15.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.6 158.03 17.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -131.74 146.26 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.1 121.66 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -97.17 115.45 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.58 115.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -130.01 118.33 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.81 -55.05 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.13 -51.15 70.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -74.53 -20.45 59.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 61.37 60.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.97 128.17 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.23 116.96 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -141.45 127.18 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.84 122.04 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -136.67 96.93 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -141.04 152.71 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -123.19 -175.54 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.71 60.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.86 177.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.93 161.79 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.94 -41.08 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -65.48 -26.35 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -27.89 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -60.8 -25.7 66.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -65.26 -55.73 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.77 -36.09 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -67.75 -47.7 78.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -64.52 -43.46 93.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.15 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -63.22 -37.55 87.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.65 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -74.79 -36.89 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -53.91 -28.57 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.68 -23.54 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -50.63 -30.99 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -52.94 -38.5 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 26.0 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.38 80.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -51.57 -30.36 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -75.04 85.04 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.7 t -122.38 139.56 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -146.54 135.46 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.5 p -134.3 120.54 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.875 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 mt -120.74 107.7 13.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.5 m -124.48 154.95 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 mmt -97.09 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.14 106.51 17.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.77 111.77 23.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 tt -120.73 130.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.05 87.53 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ttp -83.76 135.32 34.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 51.62 42.12 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.61 43.58 59.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 m -94.77 38.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.2 m80 64.48 153.65 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 98.15 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.3 m -76.93 114.5 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.94 106.87 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -111.6 101.88 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -80.43 113.8 18.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.93 138.04 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.37 141.81 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -28.4 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.63 -25.43 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -121.93 14.74 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.34 -56.58 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tp -55.95 -43.18 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.83 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -58.13 -44.49 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -62.28 -42.93 99.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -50.54 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -66.96 -43.14 83.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.93 -42.53 68.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -66.43 -20.73 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -29.81 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 tt -91.17 -32.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 tp -60.84 -26.5 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -56.38 -28.0 57.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.95 179.63 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.06 36.68 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.17 99.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -85.01 -29.05 25.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.47 -44.65 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.36 -21.05 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 mtp -52.85 -52.15 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 ttp -57.06 -57.9 10.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -53.54 -34.69 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -67.84 -47.58 68.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.1 mt -60.87 -40.99 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -77.13 -27.47 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -68.94 -48.12 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -86.26 -51.55 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.3 162.83 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 tttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -92.67 102.01 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.44 -18.92 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -164.28 28.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -150.02 160.49 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.397 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.23 120.33 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.42 128.15 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -143.94 109.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -132.31 112.71 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.8 -47.85 43.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.91 -48.06 69.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -74.53 -19.41 60.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mttm 63.55 56.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.1 mt -134.42 123.04 23.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.7 mmm -129.79 113.81 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.5 153.08 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.68 122.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.2 t -140.77 105.82 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -139.64 169.2 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.7 t -50.18 140.18 13.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.68 90.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.31 -175.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -50.54 153.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -71.7 -41.5 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -51.38 -36.07 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.1 ttm -77.05 -35.2 56.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.38 -25.42 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -64.91 -55.59 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.96 -33.17 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.38 -45.33 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.77 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.1 m -62.46 -42.43 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.56 66.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.11 -35.83 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -54.95 -29.88 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.25 -23.51 48.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -50.58 -30.76 13.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -51.91 -36.13 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -127.21 26.13 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.36 79.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -50.84 -31.06 16.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -75.97 79.47 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.64 137.3 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -145.16 109.98 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.5 p -110.66 122.75 48.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.8 mt -82.54 109.52 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.79 163.06 33.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.43 157.99 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.91 136.35 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -126.82 106.28 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.28 91.04 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.0 tt -97.62 130.34 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 110.94 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 154.75 40.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 106.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.98 45.2 7.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -153.67 141.08 19.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -51.6 157.03 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 140.36 42.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -118.11 119.43 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 106.85 18.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.65 119.89 58.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -91.68 118.15 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 t -126.77 125.57 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.98 145.28 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -58.53 -22.24 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.43 -20.82 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.12 19.04 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -63.34 -56.3 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.67 -51.13 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.23 -43.82 83.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -56.54 -50.6 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -56.29 -48.57 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.46 -29.84 64.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -49.97 75.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.38 -21.3 14.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -50.66 6.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -71.05 -9.28 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 tp -81.74 9.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -116.29 81.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 69.73 81.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -133.25 79.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -46.17 155.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -54.26 -25.89 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -53.97 -46.44 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.22 -25.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.83 -50.66 63.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -50.98 -45.48 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.27 -43.61 88.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.73 -48.33 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.0 mt -54.74 -46.7 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -76.27 -24.35 54.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.17 -47.94 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -89.37 -52.44 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.03 133.47 34.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.829 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.42 125.56 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 t -103.58 -15.3 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.73 159.53 21.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -131.83 137.15 47.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -130.69 113.65 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -96.41 115.88 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -123.96 112.18 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -125.53 108.49 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.13 61.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -52.29 60.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.24 -6.02 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.0 mttt 58.97 60.93 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 mt -130.38 125.47 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -121.55 116.17 24.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -131.65 127.89 37.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.75 123.74 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -143.32 98.21 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.65 170.82 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -50.65 133.21 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.86 107.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 30.4 pt -102.76 -175.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -51.38 139.67 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -39.64 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -52.17 -37.07 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.3 tpp -77.16 -27.86 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -56.76 -35.76 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -60.09 -55.14 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.26 -52.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.99 -45.35 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.23 -42.45 95.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.11 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 96.2 m -57.57 -52.89 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.51 -27.85 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -72.4 -36.98 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.58 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -57.24 -23.8 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -56.43 -24.86 48.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.04 -23.7 55.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.11 26.5 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.4 -35.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.38 24.63 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.949 0.404 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -144.21 92.74 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.76 139.75 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.43 109.89 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 p -104.52 144.93 31.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.91 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 m -95.8 137.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.08 107.54 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m -104.96 155.83 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.92 151.64 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mmt -107.39 107.89 18.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.3 106.47 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -92.28 121.89 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -132.54 130.03 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t -134.17 89.38 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.36 173.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.11 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.77 53.79 42.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -130.97 15.44 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.52 160.66 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 135.04 29.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.5 m -122.66 114.15 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -85.12 106.9 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 mt -107.08 109.77 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -84.37 119.05 24.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.7 t -135.29 132.55 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.52 149.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -52.86 -33.39 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -32.63 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -98.42 12.67 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.14 -55.53 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.71 -45.74 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.72 -50.2 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 m -53.81 -46.76 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.3 -42.29 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -57.91 -44.5 86.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.59 -30.26 61.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -45.03 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -59.21 -21.7 59.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.75 -60.07 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -57.96 -38.55 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.97 -24.9 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -95.92 29.25 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.28 176.53 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -123.81 36.48 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -108.3 104.28 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -85.17 -16.25 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.68 -46.48 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.1 p -60.23 -19.8 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 mtp -52.89 -51.17 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 tpp -52.91 -53.19 52.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.08 -31.7 65.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -74.39 -48.79 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.33 -31.97 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.7 m -79.05 -50.41 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -83.9 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.24 124.35 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -87.64 -52.72 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p 50.1 42.52 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.32 -35.87 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -147.32 113.89 6.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.1 152.43 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.23 160.61 67.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.683 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -40.04 5.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -52.04 -32.11 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.95 117.88 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.23 170.28 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -101.2 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.96 -23.3 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.17 171.52 26.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.74 151.02 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -131.08 115.78 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -90.32 120.72 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.85 116.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -131.34 119.66 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.67 33.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.08 -52.71 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -93.01 -11.85 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 63.58 56.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -116.74 138.93 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -134.47 122.52 22.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 m -141.33 130.77 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 m -126.78 122.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.42 97.01 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -149.74 151.23 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -125.19 -169.97 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.5 50.79 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.4 pt -139.94 154.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.08 156.55 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.18 -39.72 65.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.83 -27.59 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 ttm -63.61 -30.78 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -57.01 -35.52 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -58.99 -53.63 56.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.04 -55.05 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.6 mt -52.51 -50.09 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -58.18 -47.28 83.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.12 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.5 m -59.27 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.54 69.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.03 -38.83 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.13 -28.54 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -57.57 -23.63 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -50.88 -30.72 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -54.96 -36.62 65.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -127.06 25.88 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.82 84.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -51.62 -30.37 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -64.18 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.74 125.65 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -136.79 138.02 40.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.2 p -134.02 144.54 48.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -83.53 118.88 24.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.7 ttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -90.85 148.33 22.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.89 137.98 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.8 p -135.73 148.72 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -120.35 160.34 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.4 mmt -113.31 130.47 56.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -115.87 106.3 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -93.75 102.52 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -107.44 128.91 62.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -134.02 108.83 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.21 149.76 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 111.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.35 44.37 8.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 m -160.45 140.5 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -51.7 157.01 2.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 153.66 68.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -128.02 118.63 23.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.15 106.79 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.56 110.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.05 130.63 35.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -137.97 142.9 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.3 151.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.7 tmm? -52.92 -51.24 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.51 -26.11 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -90.9 4.37 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -62.26 -54.53 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.85 -45.26 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.41 -49.78 76.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -55.91 -49.28 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -60.67 -42.26 96.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t -57.73 -50.51 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -29.95 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -44.96 88.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -58.82 -21.6 56.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.76 -59.31 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.9 tt -57.31 -35.52 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 tp -62.93 -28.92 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.07 -26.05 64.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.17 -174.75 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -126.74 30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.97 106.55 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -30.68 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.32 -23.9 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.19 -20.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mmm -52.99 -51.99 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptm -52.17 -47.2 65.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -58.59 -41.78 86.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.32 -47.2 74.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.9 mt -56.41 -47.94 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.5 m -73.92 -27.05 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.25 -48.06 74.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -88.16 -55.69 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.97 104.14 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -120.14 132.91 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -109.48 82.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.53 -65.31 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -139.67 105.84 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.44 122.47 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 160.55 25.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -22.21 32.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.41 -26.63 68.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -52.21 135.92 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -128.3 149.97 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.07 141.96 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 p -116.09 -24.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.97 169.45 29.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -137.13 152.22 49.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.6 t -130.5 113.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.71 119.52 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.08 109.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -124.83 94.18 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.75 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.74 -52.83 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -98.76 9.63 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 51.74 48.04 23.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.0 124.14 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -127.82 120.1 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -141.47 134.88 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.0 m -130.06 132.26 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.7 m -144.47 103.32 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -150.34 148.84 29.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -122.69 -170.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 63.34 54.04 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 41.5 pt -136.77 -175.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -97.37 153.12 18.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.08 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 ttp -56.94 -27.96 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -59.22 -25.97 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -68.47 -55.38 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 6.4 p -65.68 -34.82 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.8 mt -70.29 -45.67 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -66.24 -37.56 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.97 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.5 m -63.92 -37.26 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.62 -30.82 59.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.75 -35.82 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -27.64 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -57.44 -23.6 50.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -50.67 -31.07 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.13 -37.41 54.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -127.04 25.98 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 79.85 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.54 -30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -72.56 79.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.6 p -119.39 136.15 57.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.5 p -140.29 134.04 30.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -116.61 171.08 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.0 ptp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m -101.24 122.26 43.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -99.23 117.21 33.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p -120.48 149.07 42.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.03 153.32 37.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.9 mmt -106.38 124.1 49.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -109.34 106.91 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.92 115.52 28.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 tt -126.52 125.26 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -131.17 137.37 48.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ttp -101.28 162.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 117.66 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.76 51.67 28.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -160.98 146.06 14.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -64.78 160.96 49.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.72 40.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.4 m -111.14 115.26 29.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.31 106.9 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.87 104.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.03 130.91 36.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.7 t -143.8 153.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 t -56.71 154.2 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -44.87 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.99 -50.36 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -58.08 -21.45 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.62 -49.76 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -55.69 -51.6 66.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -56.17 -47.13 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -49.85 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.78 -42.6 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -57.29 -47.6 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -72.8 -30.12 63.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -43.11 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -59.41 -21.8 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -57.23 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 tt -60.12 -33.75 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 tp -65.89 -26.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.09 -27.81 35.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.14 -173.49 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -127.35 26.22 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.79 115.31 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -24.72 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.39 -26.33 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.05 -25.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mtp -53.01 -52.09 59.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.1 ptm -57.7 -45.13 86.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.44 -38.72 90.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -65.74 -48.62 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.5 mt -60.14 -45.68 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -71.54 -28.01 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -68.76 -48.05 64.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -82.92 -59.12 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.57 98.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -118.27 29.76 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -139.26 88.89 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -92.08 138.76 31.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.6 mt -114.79 127.93 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 mtt -94.84 160.66 30.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.704 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.03 11.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.7 2.266 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.98 -31.29 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -73.55 138.02 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -129.45 156.9 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -72.3 128.34 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.42 -22.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.52 164.94 37.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -149.65 142.79 25.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.5 t -131.03 124.89 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.58 115.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.2 t -127.13 110.78 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -120.61 117.39 27.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.99 -38.35 32.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.88 -49.56 62.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.47 -8.95 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 62.98 46.07 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.41 134.01 47.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.52 115.4 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 m -141.81 103.85 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.1 m -107.03 130.54 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.9 m -150.15 106.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -129.8 175.25 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 t -51.16 139.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 91.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.6 pt -87.81 -175.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.2 154.5 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -73.47 -36.67 65.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.67 -44.33 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.0 tpt -77.05 -27.73 54.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -56.72 -37.7 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.89 -49.23 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.09 -52.95 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.4 mt -57.49 -46.49 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.5 -40.59 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.14 72.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -60.75 -50.63 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.28 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.91 -33.98 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -59.1 -30.27 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -56.98 -23.57 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -50.0 -31.59 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -52.02 -35.19 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -127.06 26.04 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.71 81.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.51 -30.03 18.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 70.51 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.71 126.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.97 151.31 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.4 p -138.17 151.0 47.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -101.56 101.97 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.8 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.883 0.373 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m -86.89 142.3 28.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.6 mt -110.22 108.96 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.3 m -114.53 135.64 53.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.14 147.01 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mmt -108.17 121.96 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.81 106.35 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -95.85 103.02 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 tt -111.67 128.12 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -134.13 123.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.77 145.04 28.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 109.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 32.35 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t -154.76 151.06 28.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -62.43 160.63 31.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.5 40.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.7 m -112.33 114.59 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 m -85.09 106.79 16.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.1 mt -108.65 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -87.21 116.4 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.78 128.57 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.17 151.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 tpt -55.91 -26.45 47.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.36 -25.65 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.7 9.47 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -66.16 -56.63 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.46 -47.86 78.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.28 -48.02 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.5 t -55.3 -49.02 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -60.3 -42.58 95.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -57.3 -50.37 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.03 -30.0 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.16 -45.29 92.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.28 -21.44 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -56.83 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 tt -60.56 -38.0 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 tp -59.25 -27.84 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -103.8 29.55 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -121.78 -5.79 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 51.75 30.33 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -103.53 94.23 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -85.12 -16.32 40.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.82 -27.71 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -91.14 -16.21 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmm -52.89 -50.47 63.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptp -51.84 -47.11 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.11 -37.15 86.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.78 -43.54 88.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.6 mt -68.11 -41.59 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.2 m -73.44 -26.37 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -75.95 -48.0 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.87 -56.12 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.41 131.1 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -133.18 103.21 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -88.68 75.1 8.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.53 -66.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -145.41 120.69 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -114.84 127.39 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -104.13 160.65 25.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.546 0.689 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -39.97 5.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -53.56 -28.41 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.02 110.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.3 143.4 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.53 152.14 45.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.4 -26.59 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 154.76 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -118.72 138.43 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -131.12 116.18 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.76 132.28 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -143.48 109.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.4 112.93 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.52 62.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -97.62 -9.42 26.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 63.59 53.15 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 mt -127.64 136.34 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.33 131.64 36.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.62 106.78 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.12 131.47 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 t -150.16 104.18 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -131.37 175.15 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -51.11 146.38 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.26 86.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 pt -83.93 -174.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.86 153.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.16 -41.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -51.61 -41.7 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -34.5 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -56.9 -47.18 81.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.15 -41.4 71.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.82 -55.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.2 mt -57.67 -40.55 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.9 -40.16 91.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.2 71.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 m -62.38 -46.92 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.31 72.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.94 -34.26 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -28.43 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -55.82 -21.48 19.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -47.18 -30.13 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -50.82 -37.32 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -128.14 25.2 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -174.61 79.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -51.33 -30.07 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.31 89.26 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.6 t -126.78 130.72 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -132.15 137.41 47.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.5 p -134.14 135.23 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 118.49 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 20.3 ptm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -98.06 118.44 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.45 108.32 20.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.5 p -111.6 164.39 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.26 141.61 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.7 mmt -100.79 117.28 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.96 106.44 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -94.69 103.59 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.9 tt -110.82 127.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.13 95.19 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ttp -51.9 161.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 118.6 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.36 52.93 45.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 p -153.9 141.07 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.828 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -51.74 156.85 2.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 139.69 40.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.9 m -116.81 115.48 25.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -84.77 106.9 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.9 mt -110.14 102.71 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.12 105.94 15.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.25 131.84 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.92 156.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 ttt -66.58 -35.7 80.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.01 -25.59 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -121.49 14.6 11.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.41 -56.6 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.93 -46.17 78.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.19 -47.53 84.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t -55.65 -49.68 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -60.19 -42.47 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.9 m -57.1 -50.38 72.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.03 -34.04 77.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -43.43 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -58.14 -21.98 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -61.62 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.0 tt -52.88 -33.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 tp -57.93 -28.99 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.15 -29.41 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -104.32 150.33 24.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -104.63 50.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.77 115.84 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.04 -26.02 27.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.45 -35.21 75.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.42 -24.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -51.98 59.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 ptm -52.13 -47.07 65.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.04 -37.28 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -67.08 -53.44 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.0 mt -55.18 -44.23 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -73.36 -29.9 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -64.94 -47.8 76.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -85.33 -57.68 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.89 110.96 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -73.0 130.37 40.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -75.67 69.57 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.11 159.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.86 146.58 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.9 mm -106.36 144.01 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.09 160.51 61.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -14.86 36.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -35.99 48.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.06 148.2 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -125.99 154.33 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 118.88 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -116.76 -23.91 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 115.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.63 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.2 t -131.07 132.2 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.7 122.78 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.9 t -135.39 109.94 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -133.26 95.95 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.04 66.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.5 -52.76 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -98.04 9.55 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt 51.63 43.59 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.37 115.43 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.9 mmt -126.28 124.22 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -141.06 152.63 44.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.03 127.95 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 105.63 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -131.35 170.22 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.69 128.6 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.78 106.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 pt -103.61 -175.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.53 147.52 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.12 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -51.78 -46.0 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -27.95 55.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -56.8 -41.84 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.33 -55.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 83.1 mt -57.57 -55.37 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -54.75 -34.76 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.68 58.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 m -60.47 -35.08 75.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.85 -47.55 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.82 -24.5 66.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -61.38 -26.48 67.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -55.42 -25.95 38.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.81 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -52.99 -37.39 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -22.15 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.43 50.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -130.35 135.97 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -64.03 108.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.3 p -112.58 129.28 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -135.26 109.91 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 27.0 p -101.18 153.65 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.46 111.16 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -106.47 148.04 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.49 107.91 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.49 144.74 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.73 150.03 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.88 113.48 25.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.62 106.27 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -92.53 106.84 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 tt -118.41 131.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.2 104.87 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ttt -51.86 169.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.21 102.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.07 58.35 14.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -126.96 -79.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 177.22 156.32 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.58 13.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -121.72 107.42 12.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.07 106.79 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -105.69 106.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -84.97 126.17 33.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.97 130.05 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 m -58.71 151.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttp -55.08 -33.91 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.25 -24.25 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.2 mtt85 -114.07 19.16 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -56.24 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.1 tp -56.91 -47.15 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -59.56 -49.86 76.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.62 -42.26 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -58.49 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.2 -33.84 76.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -58.44 -21.96 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.36 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -54.72 -36.75 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 tp -61.75 -28.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.46 -36.66 74.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -95.64 158.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -102.81 48.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -88.1 107.24 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.8 m -81.19 -51.29 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -55.79 -26.17 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.76 -23.86 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.05 -52.12 65.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 tpt -54.72 -56.76 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.21 -36.25 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -68.05 -44.74 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.8 mt -62.21 -41.08 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.5 m -78.44 -26.11 46.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -70.29 -47.92 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -88.5 -49.33 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.16 145.09 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.66 -7.2 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.66 51.27 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -165.49 123.17 1.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.08 67.57 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mm -115.06 108.84 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 ttm -118.6 71.53 9.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.13 13.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -150.54 19.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.99 168.12 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -138.01 148.69 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.28 131.21 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.63 -22.16 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.01 154.61 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.9 137.21 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.02 119.54 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.33 130.68 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -146.8 110.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -131.01 111.45 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.96 55.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.98 -52.83 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -88.31 1.4 54.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 51.78 51.52 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.58 123.08 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.99 122.46 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.81 154.34 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.49 133.03 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.36 98.06 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -97.14 134.82 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -126.61 131.54 51.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.49 63.19 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.4 pt -130.96 178.48 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -97.97 160.21 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.07 -40.77 59.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.74 -51.84 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -27.87 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -56.92 -31.48 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -60.49 -55.12 37.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.15 -50.16 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.49 -50.04 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -59.06 -49.34 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.05 -48.66 70.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -59.02 -53.89 53.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.26 -26.38 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.02 -42.01 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -29.32 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.3 -23.74 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -51.15 -30.46 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -51.84 -40.55 60.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.04 25.97 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.58 83.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -51.48 -50.85 59.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.57 88.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.72 124.74 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.9 118.08 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 60.6 p -110.14 116.67 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -65.56 100.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -92.14 111.17 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.0 mp -74.77 140.21 43.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.5 m -141.38 165.45 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.95 144.78 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.32 140.6 32.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.87 106.38 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -94.75 97.87 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 tt -103.09 129.34 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -133.48 94.91 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 148.33 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 121.95 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 49.93 12.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 m -160.03 179.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.97 160.74 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.44 17.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.1 m -110.55 119.3 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 mt -107.55 125.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 p -104.12 125.45 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.72 137.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.07 156.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -73.22 -11.49 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.34 -17.15 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -124.31 9.2 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -54.28 -37.13 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.18 -52.2 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.95 -43.96 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -63.65 -47.77 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.74 -42.77 93.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -61.48 -52.33 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.39 -35.44 75.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.3 -44.18 92.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.55 -21.91 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -60.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 tt -54.67 -33.04 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 tp -56.1 -27.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.26 -25.44 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -95.58 166.05 12.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.97 43.2 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.4 93.4 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -81.02 -28.86 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.41 -33.43 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.78 -16.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.2 mtp -52.91 -50.58 63.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -51.86 -47.12 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -58.48 -38.88 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -65.06 -52.67 54.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.1 mt -60.02 -40.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 m -74.26 -26.2 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -78.41 -48.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -80.01 -54.84 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.48 143.25 32.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -110.99 87.18 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -76.84 62.69 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.29 -169.26 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.29 88.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.8 tp -94.98 143.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.2 mtt -89.92 160.58 40.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.689 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -13.29 34.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -25.76 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.86 159.92 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -133.76 166.92 21.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -110.09 131.99 54.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -111.29 -16.47 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.85 169.19 29.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -137.11 133.18 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -111.73 126.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.55 117.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.0 t -128.01 109.85 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -122.43 99.06 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 -28.69 63.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -71.61 -52.69 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -80.81 -11.73 59.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 63.92 52.85 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.32 122.48 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.14 122.78 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -141.5 107.49 5.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.9 m -93.93 137.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 t -126.25 96.77 4.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -103.07 135.41 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -139.44 145.33 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.39 55.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.97 159.87 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.34 154.01 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.91 -29.91 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.1 -47.26 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.0 tpp -57.7 -28.05 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -56.92 -37.4 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.9 -55.1 38.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.69 -56.03 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -53.66 -47.72 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -58.02 -41.79 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.02 94.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -62.78 -43.32 99.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.16 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.47 -31.52 62.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -61.09 -26.72 67.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -56.51 -23.21 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.77 -29.8 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -50.69 -44.12 57.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -127.27 26.26 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.38 88.51 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -60.5 -25.09 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -102.35 95.18 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.4 145.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -151.02 149.95 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.1 p -141.87 127.27 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.02 136.21 55.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.7 mtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 m -111.57 133.41 53.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.91 143.78 45.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.77 147.77 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.72 141.33 35.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 mmt -94.01 108.86 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -98.04 106.4 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -94.33 107.5 19.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.5 tt -113.86 129.03 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.14 93.38 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 154.09 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 108.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 45.01 6.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -152.99 153.64 33.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -66.6 160.85 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 121.69 8.38 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.9 m -101.26 112.93 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.22 106.71 14.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.48 108.19 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.84 125.04 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.92 151.05 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.21 154.34 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.43 -17.99 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.95 4.73 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -119.98 -12.31 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.6 -37.53 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.73 -53.59 38.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.88 -43.17 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.93 -42.49 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -59.28 -50.66 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.59 -30.18 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -45.96 83.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -58.09 -21.42 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.65 -61.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -56.36 -39.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 tp -52.61 -29.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.27 -25.96 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -107.29 -173.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -125.28 26.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.8 102.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.03 -28.98 25.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -71.8 -25.02 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -88.22 -19.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 mtp -52.97 -51.97 59.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 ptm -51.83 -47.76 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -38.1 82.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.02 -53.77 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.2 mt -54.98 -43.57 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -74.5 -28.51 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -65.8 -47.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -87.09 -56.09 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.59 145.93 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -91.85 128.5 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -75.89 69.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -163.6 147.28 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -94.08 40.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.11 113.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -149.16 71.27 10.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.58 7.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -139.6 26.03 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.18 122.75 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -127.09 155.69 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.08 124.25 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.91 -19.0 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.47 166.56 39.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.87 144.2 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.0 t -131.06 118.14 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.46 115.48 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.8 t -130.01 110.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -132.14 105.38 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.78 -23.75 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -64.67 -52.93 54.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -98.74 6.8 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 53.13 13.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.99 125.15 53.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 122.84 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -141.56 146.14 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.59 128.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.59 112.39 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -115.51 155.92 26.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.41 121.34 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.32 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -126.85 148.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.1 156.45 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.01 -60.13 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -33.59 67.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -36.35 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -56.93 -37.25 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.11 -55.07 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.75 -56.13 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.1 mt -54.45 -48.36 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.23 -39.9 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.02 72.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -60.89 -36.67 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.63 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -74.01 -34.31 64.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -26.76 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -56.55 -23.4 39.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.64 -31.42 10.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -52.95 -38.99 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -127.15 26.16 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.43 83.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -51.07 -30.86 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.77 86.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.47 125.77 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -135.78 109.94 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.32 137.06 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.38 139.61 56.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.6 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.94 121.9 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -83.38 107.44 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -119.56 161.42 20.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.03 140.37 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 132.17 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -134.81 106.4 6.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -94.05 93.64 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -99.6 130.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.11 146.34 50.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.7 ttt -114.97 165.67 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 117.97 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.77 37.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -160.08 131.16 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.54 157.21 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.93 15.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -97.75 119.05 35.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.47 106.81 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -107.37 130.63 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 m -105.82 111.69 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.42 129.26 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.94 146.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.59 -37.94 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -63.7 -16.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.16 19.27 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -56.56 18.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.27 -50.92 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.91 -51.0 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.6 p -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -61.45 -42.13 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -58.76 -47.61 84.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -33.31 74.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -44.12 93.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.91 -21.84 58.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -59.73 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 tt -55.76 -34.37 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tp -67.62 -25.81 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.31 -25.51 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.57 157.08 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -92.32 52.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.95 102.86 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -32.57 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.98 -25.76 61.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -81.42 -22.81 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.4 mmm -53.19 -52.02 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 tpt -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.09 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.25 -51.0 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.4 mt -54.91 -44.55 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t -75.37 -28.52 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -66.7 -48.09 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -86.33 -54.72 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.0 96.21 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.53 133.39 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -80.46 62.02 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -89.11 -21.41 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.48 73.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.25 146.92 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.43 156.95 1.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -9.2 25.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.5 -24.95 61.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -51.79 152.22 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -117.81 149.08 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.75 144.76 34.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.28 -0.83 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.81 158.24 8.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -129.94 126.98 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.5 t -115.62 111.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 t -94.3 115.36 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.6 t -135.82 116.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -135.61 122.91 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.33 70.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.3 -53.86 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -99.68 13.51 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.5 pttt 39.75 54.84 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.9 mt -112.36 134.81 53.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -133.83 116.19 15.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -139.52 125.61 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.6 m -115.42 108.96 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -105.93 98.24 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -100.64 135.67 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -73.73 -169.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -51.55 103.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.7 pt -129.5 -178.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.2 160.02 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.1 -40.18 60.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.74 -54.08 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.75 68.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.93 -25.76 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -55.49 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 p -63.96 -33.81 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.0 mt -69.94 -56.08 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -59.83 -33.28 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.29 47.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.4 m -62.35 -34.26 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.19 56.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.37 -33.98 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -31.03 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -56.96 -23.48 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.79 -31.03 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -51.63 -41.04 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 26.2 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.51 83.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -51.75 -29.85 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.81 91.73 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.37 122.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -129.55 159.01 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 p -147.31 159.88 43.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.94 117.6 2.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptt? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 m -100.09 122.31 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.05 109.46 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 p -107.22 156.03 19.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -123.77 149.15 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.2 mmt -107.97 110.34 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -104.77 106.3 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -91.1 119.47 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 tt -125.51 123.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.09 97.69 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.53 173.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 -65.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.85 64.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -160.71 151.57 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -68.3 160.77 73.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.63 30.91 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 m -118.27 122.05 41.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.02 106.67 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 mt -102.77 104.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -81.2 114.97 20.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.85 132.37 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.17 155.76 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -60.71 -22.47 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.75 -26.04 59.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.7 18.35 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.34 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -48.96 79.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -52.96 -51.12 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -57.76 -47.47 82.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.37 -42.23 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -58.91 -51.31 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.28 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.47 -21.69 64.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.47 -57.68 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -59.85 -37.84 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.28 -28.55 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.6 -25.93 64.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.22 -174.75 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.3 29.57 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -77.97 101.12 6.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -26.85 26.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -73.64 -24.67 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -87.0 -19.33 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mmm -52.85 -52.13 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -53.59 -44.07 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.49 -38.02 83.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.97 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.5 mt -70.56 -39.85 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 t -74.42 -25.79 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.58 -48.02 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.86 -54.15 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.34 132.16 35.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -90.73 135.72 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -87.12 68.92 10.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.02 162.17 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -119.89 39.33 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.3 mm -106.51 111.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.53 66.94 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.65 6.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -132.77 26.21 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.63 117.12 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -106.81 156.02 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -78.92 117.91 20.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.1 p -97.91 -24.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.41 160.19 21.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.61 143.82 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.28 124.38 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.65 121.29 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.26 110.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -122.16 104.98 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.86 -38.87 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -52.62 -53.05 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -98.98 15.9 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp 38.6 55.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.8 mt -112.0 137.57 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -134.69 120.61 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.64 130.83 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.8 m -130.22 96.9 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -100.32 136.28 40.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.7 m -130.75 131.37 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.34 61.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.29 175.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 159.83 19.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.96 -40.74 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.35 -52.5 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.15 -28.68 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -57.77 -39.21 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -55.09 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.2 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.5 mt -54.95 -38.54 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -65.69 -42.96 90.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.93 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -49.39 77.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -27.95 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -74.26 -40.27 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -54.5 -31.0 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -56.13 -25.33 45.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -14.31 60.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -85.18 -11.56 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -120.37 -22.06 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.96 -26.31 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 59.02 21.31 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -144.13 79.25 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 p -116.84 136.6 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -139.84 118.99 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.6 p -107.57 137.28 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -134.53 127.18 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 35.8 mtm . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.85 148.17 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.17 118.93 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.98 162.38 17.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.94 152.11 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mmt -107.98 122.11 46.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -105.68 145.9 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -131.92 92.81 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.8 tt -102.61 130.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 93.02 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.2 ttt -52.37 166.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.51 117.29 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.88 53.63 39.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -153.51 140.34 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -52.19 160.67 1.17 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.42 14.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.8 m -105.53 115.79 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 106.82 17.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mt -108.43 110.13 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.32 130.13 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.03 137.67 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -59.89 160.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -13.0 60.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.2 -24.53 32.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -121.38 12.34 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.84 -55.56 18.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -55.31 -42.83 74.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.06 -50.49 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.01 -44.23 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.05 -42.73 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -57.27 -50.55 72.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.39 -39.59 74.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' HA ' HG23 ' A' ' 36' ' ' ILE . 1.5 tp -53.93 -41.94 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.41 -21.09 66.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -29.75 27.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.4 HG23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tt -91.34 -31.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.31 -21.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.81 -24.91 55.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -79.79 179.15 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -115.87 -20.45 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -51.05 103.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.02 -22.05 29.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.92 -13.8 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -88.58 -23.91 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.2 mmm -53.03 -51.9 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptm -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.8 -36.86 83.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.36 -40.45 89.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.5 mt -73.45 -37.45 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.1 t -76.47 -25.05 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -82.02 -46.31 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -81.21 -50.58 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.54 135.69 33.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 -25.7 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 p 50.31 30.59 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.59 -31.78 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.29 109.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.9 tt -71.63 148.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 ttp -115.15 70.75 2.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -32.24 18.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -154.76 21.56 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.61 165.39 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -131.05 178.41 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.8 m -103.04 125.54 49.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.98 -21.84 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.37 -169.4 33.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -149.98 161.06 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.7 t -131.31 132.44 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.4 t -104.26 125.67 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.3 t -139.41 122.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -138.41 119.45 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.84 -25.43 35.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -67.07 -52.79 37.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.68 4.37 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 51.84 59.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt -117.59 122.17 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -132.37 111.32 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 m -141.58 108.57 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.2 m -98.76 136.33 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m -141.52 107.17 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.9 161.47 31.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -54.93 170.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.0 107.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.1 pt -90.58 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.32 177.63 8.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.13 -60.09 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.71 -47.18 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -38.72 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -56.81 -40.05 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -60.56 -55.09 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.73 -56.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.3 mt -53.82 -42.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -41.56 98.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.21 -50.15 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -60.83 -48.94 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.12 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -29.17 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -57.42 -23.24 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -31.82 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -51.96 -37.97 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -127.31 26.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.52 80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -50.67 -31.13 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 77.51 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 p -113.14 138.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.54 147.3 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.7 p -146.16 131.41 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.64 108.31 17.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.0 tmm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mtm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 m -89.26 144.9 25.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.7 mt -106.68 107.54 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.5 m -107.52 162.49 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.69 155.4 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 108.84 18.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.38 106.37 16.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -94.14 121.53 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 tt -129.98 127.32 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 92.45 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.8 ttp -51.92 168.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.63 107.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.72 49.43 23.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.9 t -146.22 136.93 24.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -51.6 157.01 1.98 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -80.46 120.61 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 106.86 17.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.8 mt -111.17 103.52 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.58 120.22 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.2 t -130.48 130.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.53 151.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -33.52 67.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -9.47 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -118.38 17.32 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -53.63 23.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -52.25 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.0 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 t -53.38 -56.65 15.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -42.06 97.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -54.01 -44.03 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -80.02 -33.16 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.11 -21.74 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.13 -60.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 tt -56.9 -38.15 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 tp -57.8 -28.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -72.36 -28.39 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -94.2 164.57 12.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.93 44.66 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -89.65 106.5 18.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.02 -28.76 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.81 -36.04 72.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.64 -24.3 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtp -53.15 -51.96 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.8 tpp -53.75 -54.03 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.14 -35.46 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.15 -44.27 80.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.12 -40.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -76.26 -26.67 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -73.8 -44.08 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.09 -55.55 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.68 146.61 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -104.16 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 p -135.68 -62.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.41 147.16 49.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 52.12 60.61 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.83 147.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.0 ptp -108.56 88.06 4.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.844 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.56 23.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.75 -23.79 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -51.96 169.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -131.91 163.16 28.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.59 126.3 31.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -117.47 -11.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.29 147.55 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -134.07 142.87 47.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.3 t -130.81 117.25 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.9 t -95.34 116.06 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.7 t -123.73 112.32 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -125.51 111.66 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.61 -39.74 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.51 -52.66 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -82.97 -14.86 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 mttm 63.61 54.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt -122.88 124.15 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 mmt -122.1 120.07 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -141.63 133.99 28.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 m -126.12 136.34 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.9 m -135.85 96.92 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -99.96 135.65 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.43 125.95 49.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.83 86.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 pt -138.74 -178.4 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.04 167.22 11.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.07 -36.13 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.1 -26.45 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.11 -40.44 45.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -63.45 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -70.21 -55.72 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.61 -38.37 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.3 mt -67.99 -43.12 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.57 -38.96 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.84 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.0 m -61.18 -41.73 97.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.55 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.29 -31.49 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.13 -26.7 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -56.12 -23.45 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -49.96 -30.79 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -54.43 -38.04 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -127.11 26.09 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -179.4 83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -50.81 -30.47 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -70.12 83.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.1 t -126.14 126.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -133.74 146.57 50.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.4 p -138.46 145.38 40.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.0 127.34 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.9 tmm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ptt? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.54 123.78 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.27 107.61 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 150.4 30.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.79 145.03 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 129.83 45.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -124.83 106.24 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -94.07 100.24 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 tt -111.0 127.9 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -134.1 95.78 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.63 174.25 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.09 101.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.08 32.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -133.02 11.76 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.03 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.53 16.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -115.91 115.02 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.96 106.86 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.61 118.43 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.63 130.24 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.64 134.78 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.89 148.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptm -52.93 -33.36 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -76.35 -29.68 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -97.03 9.19 42.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.88 -56.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -55.79 -42.35 75.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.94 -49.64 73.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -54.62 -46.3 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.38 -42.56 96.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -55.91 -51.05 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.25 -38.93 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.24 -40.64 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -67.76 -20.79 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.57 -29.37 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 tt -91.51 -32.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -23.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.99 -25.48 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.74 179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -123.1 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -51.85 129.13 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.11 -18.6 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.32 -22.58 53.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 p -89.78 -27.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mtp -56.42 -52.15 65.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.27 -58.76 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.82 -35.88 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.84 -52.04 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.7 mt -55.2 -45.13 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.01 -28.33 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.24 -47.96 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.41 -56.6 3.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.31 117.21 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.85 120.49 31.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -75.71 69.12 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.26 162.37 19.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 63.34 38.61 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.48 126.36 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.55 159.91 28.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -15.91 37.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -96.02 32.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -91.37 147.91 22.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -136.22 170.4 16.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.86 129.47 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.78 -21.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.66 162.58 28.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -136.11 140.3 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 80.2 t -131.15 127.07 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -106.4 115.96 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -127.43 117.08 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -131.94 105.09 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.73 -23.64 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.04 -50.81 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -98.6 19.66 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 38.71 47.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.0 mt -103.63 127.61 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.2 mmt -137.85 111.64 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -141.53 127.12 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 m -123.97 123.69 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.65 102.6 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -126.98 173.07 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -51.64 151.93 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.6 101.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 pt -97.54 -177.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.08 164.66 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.03 -32.6 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.1 -40.17 67.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.2 mtt -77.04 -33.08 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -56.93 -35.2 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.63 -55.06 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.73 -51.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.3 mt -55.31 -39.88 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -66.13 -45.91 79.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.97 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 m -59.24 -49.9 76.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.66 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -68.79 -36.57 78.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -63.35 -32.48 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.17 -23.79 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.82 -30.76 15.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -51.86 -36.79 49.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -127.09 25.42 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.81 78.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -51.78 -29.93 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -72.98 77.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.71 128.85 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -138.06 111.16 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -109.36 121.99 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -82.27 162.58 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 41.5 mtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.9 m -105.01 107.9 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.3 mt -91.39 108.27 19.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.2 p -118.74 169.37 9.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.58 161.84 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.5 mmt -107.24 133.69 51.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.25 106.38 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.14 107.74 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.5 tt -118.8 122.22 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.98 123.38 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.0 152.26 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 114.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.2 47.04 7.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -168.22 136.12 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -51.78 156.93 2.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.1 69.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -120.87 118.84 30.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.49 106.8 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 mt -110.67 107.7 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.99 129.69 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.9 145.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -52.06 158.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -25.08 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.42 -25.55 54.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -107.43 -8.53 16.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -51.65 -46.46 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.77 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.81 -46.57 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.16 -49.32 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.92 -42.48 94.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -57.89 -48.7 79.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.54 -33.25 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.17 -43.82 98.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -58.05 -21.66 46.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -61.23 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.4 tt -53.74 -33.42 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tp -55.88 -29.11 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -111.96 29.71 7.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.63 -4.98 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 52.04 30.01 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.0 94.37 7.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.8 p -85.03 -48.48 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.97 -27.9 61.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -87.86 -20.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -52.19 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptp -52.08 -45.74 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -64.85 -42.22 95.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.15 -35.24 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.86 -48.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -69.08 -20.32 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -85.18 -46.46 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -80.35 -59.21 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.66 143.67 55.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -102.36 86.8 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 t -75.73 68.29 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -121.45 -175.4 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -119.74 33.73 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.0 tt -109.69 127.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -162.84 67.03 1.77 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.5 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -132.41 31.69 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -50.43 131.12 24.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -146.05 120.6 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -69.19 135.78 51.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -113.94 -20.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.18 157.9 18.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -133.19 143.84 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -120.12 137.95 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.9 t -114.3 123.3 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.2 t -134.9 109.88 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -122.15 94.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -67.95 -43.91 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.35 -0.15 44.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm 56.73 51.62 10.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -128.64 123.75 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.4 mmt -116.77 130.77 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.48 154.66 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.19 136.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 m -134.56 96.91 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -104.31 135.12 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -134.88 135.04 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.32 64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.99 169.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.68 160.15 26.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.8 -41.93 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -60.29 -44.47 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.8 ttt -62.48 -32.83 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -60.57 -25.8 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -70.09 -55.42 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.73 -37.43 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.4 -49.76 68.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -62.42 -41.04 98.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.34 -49.59 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -61.31 -40.25 93.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.82 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.5 -34.81 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.75 54.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.43 -23.1 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.75 -30.75 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -51.99 -29.98 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -117.31 -22.31 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -144.19 85.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.27 -28.94 13.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 77.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.83 143.29 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -138.74 110.02 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.0 p -105.87 119.75 39.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -66.15 131.42 46.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.8 tpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 m -111.41 113.53 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.31 107.57 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -130.55 172.0 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 155.25 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.44 122.47 42.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.08 106.48 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.39 111.91 23.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 tt -124.95 122.17 62.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.56 100.64 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.15 171.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.49 20.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.34 61.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -141.66 17.47 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.86 43.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -130.04 117.58 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.12 106.77 18.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -106.92 107.91 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.2 117.97 23.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.6 132.92 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 t -51.98 145.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.81 -31.17 58.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.17 -27.4 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -110.62 15.62 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.77 -56.51 11.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 tp -57.42 -43.36 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.93 -51.02 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -54.81 -48.98 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.55 -42.24 98.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -56.28 -49.55 73.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.1 -34.03 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -59.2 -21.32 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -57.84 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.08 -34.12 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 tp -61.68 -27.51 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.0 -25.53 66.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.18 164.82 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -112.44 44.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -94.7 109.85 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -85.16 -21.22 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.76 -29.57 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.4 mmm -52.93 -51.89 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.9 ptm -56.12 -45.75 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.7 -41.53 81.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -65.93 -48.77 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mt -55.14 -48.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t -72.72 -27.76 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.08 -48.0 75.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -87.24 -57.2 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.07 128.01 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -78.1 144.05 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -93.73 74.83 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -139.23 161.23 37.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -54.97 133.09 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -89.24 129.28 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.18 157.85 57.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -16.85 37.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -35.56 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.44 145.69 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -115.56 134.51 54.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 128.97 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -108.72 -23.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.83 160.32 24.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -127.48 140.65 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.83 106.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -89.42 115.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.01 109.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -126.15 118.95 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.07 -38.55 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -54.3 -53.07 58.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' LYS . 33.4 mttm -98.92 16.11 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 37.82 44.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.2 mt -102.97 115.22 30.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.13 95.29 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -122.27 115.89 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.6 m -108.22 135.05 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.8 t -150.21 107.34 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -134.83 172.81 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.5 p -51.28 142.43 13.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.52 89.05 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.4 pt -83.63 -175.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.02 158.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.9 -42.09 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.17 -45.94 65.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.1 ttt -77.08 -39.42 49.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -56.73 -49.8 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -51.9 -44.44 63.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.3 -54.68 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.51 -48.39 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -58.28 -45.33 88.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -58.54 -48.41 80.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.53 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.17 -35.32 68.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -56.84 -30.47 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -57.45 -23.12 47.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -49.2 -31.47 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -51.57 -39.97 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -127.29 26.07 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.66 89.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -62.5 -17.26 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -109.85 81.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.86 139.17 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.08 151.17 33.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 p -133.88 145.96 50.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.07 50.72 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 ptp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.77 131.45 34.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.92 107.49 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.11 144.53 46.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.35 144.87 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.5 mmt -94.12 129.47 40.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -123.33 106.33 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -94.6 98.17 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -105.48 129.09 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.24 116.68 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttp -75.83 167.66 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 120.29 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.67 53.44 38.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.7 m -149.45 175.48 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -92.42 160.73 34.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.0 m -83.21 116.92 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 106.87 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 mt -111.68 113.87 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.41 117.21 28.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.61 131.22 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 m -57.92 147.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ttp -56.28 -26.97 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -113.82 12.31 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -68.05 -56.37 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 tp -56.91 -45.03 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.29 -49.14 78.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 p -54.68 -46.06 74.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.84 -42.64 97.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -56.73 -50.19 72.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -70.96 -39.84 72.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.08 -41.47 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -67.07 -20.79 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.32 -29.82 26.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 tt -91.1 -32.05 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tp -60.92 -23.72 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -52.19 -29.86 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.65 163.01 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.1 46.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -85.03 -23.9 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.65 -28.44 69.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.91 -22.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.9 mtp -52.91 -52.04 59.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptm -53.97 -46.79 71.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -58.67 -40.93 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -66.75 -49.51 65.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.5 mt -54.99 -46.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -74.89 -27.27 60.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.79 -48.02 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.28 -54.59 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.71 111.51 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -71.5 138.22 48.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -87.29 73.41 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.0 173.73 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -81.31 115.92 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.07 132.82 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtt -101.33 160.6 26.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.568 0.699 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.95 30.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.242 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.0 -39.25 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.38 131.29 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -114.34 155.02 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.32 142.35 41.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -117.17 -16.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.35 159.9 23.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -127.3 132.79 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.2 t -131.17 133.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.38 115.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.49 112.58 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -129.33 110.06 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.34 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -93.52 -13.6 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt 63.51 57.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -140.88 118.8 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -127.35 98.44 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 151.36 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.31 128.26 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -147.22 96.72 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.66 172.6 7.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 t -51.29 144.6 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -62.28 104.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.0 pt -100.86 -178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.08 165.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -75.06 -40.03 60.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.03 -53.08 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 mtp -57.42 -32.12 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -63.09 -25.75 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -69.75 -55.48 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.16 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.43 -43.82 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -65.54 -41.33 93.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.14 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.5 m -61.13 -41.95 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.69 82.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.16 -34.16 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -62.72 -31.75 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -56.05 -21.79 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.69 -28.59 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -51.34 -30.8 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -127.69 0.39 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.62 78.73 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -51.14 -30.11 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -72.35 79.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.17 134.63 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -142.09 136.72 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.6 p -132.29 148.72 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -96.7 108.36 20.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 m -110.68 138.89 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.9 tp -121.02 140.48 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -145.98 161.82 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.42 145.34 45.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.8 mmt -93.96 123.17 37.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.03 110.3 20.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.51 118.87 34.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 tt -129.62 127.22 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -134.02 94.86 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 ttp -64.23 165.59 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.07 51.59 49.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -135.71 8.15 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 m80 62.38 160.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.1 m -115.16 118.13 32.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -86.96 106.76 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mt -108.15 114.52 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -88.04 123.89 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -122.07 147.95 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.99 155.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -15.56 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -110.61 2.24 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -118.68 -16.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -48.98 -34.04 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -55.03 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.53 -41.75 77.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -61.58 -48.81 79.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.75 -42.53 93.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 t -60.42 -49.93 75.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.66 -29.82 69.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.18 -46.31 77.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -57.53 -21.54 38.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -60.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 tt -55.12 -35.97 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 tp -53.67 -28.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -71.71 -35.25 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -83.48 -176.45 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -131.27 29.54 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.23 108.84 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -84.93 -55.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.3 -25.01 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.51 -20.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.9 -51.98 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -40.35 73.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -61.46 -42.57 98.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -66.48 -48.67 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.4 mt -56.15 -47.07 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 t -73.84 -27.23 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -65.57 -47.92 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -87.98 -55.78 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.86 152.23 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -102.67 146.9 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -97.47 77.94 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -156.95 168.95 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -62.55 151.83 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -114.42 109.5 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.8 160.5 82.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -51.65 -29.92 19.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.25 124.42 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -105.65 148.21 27.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.56 139.06 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.9 -5.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.18 156.34 8.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -123.24 120.38 32.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.7 t -100.68 136.26 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.68 115.09 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.27 109.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -115.82 111.78 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.71 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.78 -51.19 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -98.68 -5.06 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 59.63 44.06 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mt -103.26 134.59 46.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.54 112.51 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -142.11 103.8 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.5 m -111.04 137.41 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.4 p -119.03 96.88 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.11 137.64 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -81.08 -173.45 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -52.7 107.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.78 179.73 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -70.49 151.53 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.44 -42.95 95.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -63.9 -49.21 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.38 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -56.64 -37.53 70.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -62.31 -52.97 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.59 -56.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt -57.3 -38.03 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.33 -35.87 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -49.69 31.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -60.76 -38.93 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.53 61.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.49 -32.0 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -54.33 -26.73 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -55.91 -23.19 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -48.62 -31.78 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -127.16 26.27 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.0 82.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -56.59 -21.64 28.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 70.2 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.64 135.08 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -146.0 147.2 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.9 p -140.26 142.56 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.97 163.6 12.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.2 ttp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -106.27 148.01 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -100.41 110.2 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.7 p -109.59 161.55 15.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.23 140.44 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.84 122.64 42.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -119.69 106.38 12.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -95.66 101.6 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -109.75 129.92 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.19 90.41 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.87 102.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.61 50.53 60.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -125.93 14.32 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.44 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.77 23.98 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -119.63 115.02 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.94 106.88 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.73 114.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -89.52 115.34 26.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.96 137.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.84 148.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ttp -52.95 -52.84 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.8 -25.88 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -91.64 7.57 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.15 -55.85 21.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.4 tp -55.74 -38.92 70.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.41 -50.41 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -48.93 76.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -57.81 -50.73 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.89 -30.5 69.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -45.46 88.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -58.57 -21.54 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.47 -61.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -38.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.5 tp -55.44 -29.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -95.69 31.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.23 150.93 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -87.94 54.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.58 87.21 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.5 p -84.99 -50.96 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.11 -23.32 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.37 -15.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -52.9 -52.06 59.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -55.65 -45.93 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.5 -36.06 82.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.2 mt -71.41 -38.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 t -76.62 -25.2 53.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -79.35 -48.06 14.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.12 -50.12 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.69 170.19 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 61.91 56.44 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 p -103.05 -25.01 13.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -139.5 175.27 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -99.75 38.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -113.4 152.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.46 ' CB ' ' CD ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -179.37 -61.11 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 59' ' ' MET . 53.8 Cg_endo -69.79 -8.2 23.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -103.01 -53.22 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -56.33 176.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -129.83 153.95 47.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 102.14 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 p -77.2 -15.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.6 158.03 17.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -131.74 146.26 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.1 121.66 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -97.17 115.45 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.58 115.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -130.01 118.33 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.81 -55.05 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.13 -51.15 70.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -74.53 -20.45 59.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt 61.37 60.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.97 128.17 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.963 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.23 116.96 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -141.45 127.18 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.84 122.04 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -136.67 96.93 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -141.04 152.71 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -123.19 -175.54 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.71 60.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.86 177.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.93 161.79 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.94 -41.08 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -65.48 -26.35 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -27.89 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -60.8 -25.7 66.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -65.26 -55.73 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.77 -36.09 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -67.75 -47.7 78.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -64.52 -43.46 93.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.15 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -63.22 -37.55 87.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.65 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -74.79 -36.89 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -53.91 -28.57 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.68 -23.54 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -50.63 -30.99 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -52.94 -38.5 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 26.0 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.38 80.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -51.57 -30.36 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -75.04 85.04 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.7 t -122.38 139.56 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -146.54 135.46 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 70.5 p -134.3 120.54 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.63 138.35 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -95.81 145.85 25.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.6 mt -120.74 107.7 13.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.5 m -124.48 154.95 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 mmt -97.09 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.14 106.51 17.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.77 111.77 23.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 tt -120.73 130.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.05 87.53 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ttp -83.76 135.32 34.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 51.62 42.12 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.61 43.58 59.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 m -94.77 38.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.2 m80 64.48 153.65 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 98.15 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.3 m -76.93 114.5 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.94 106.87 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -111.6 101.88 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -80.43 113.8 18.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.93 138.04 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.37 141.81 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -28.4 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.63 -25.43 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -121.93 14.74 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.34 -56.58 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tp -55.95 -43.18 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.83 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -58.13 -44.49 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -62.28 -42.93 99.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -50.54 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -66.96 -43.14 83.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.93 -42.53 68.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -66.43 -20.73 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -29.81 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 tt -91.17 -32.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.5 tp -60.84 -26.5 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -56.38 -28.0 57.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.95 179.63 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.06 36.68 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.17 99.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -85.01 -29.05 25.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.47 -44.65 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.36 -21.05 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 mtp -52.85 -52.15 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 ttp -57.06 -57.9 10.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -53.54 -34.69 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -67.84 -47.58 68.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.1 mt -60.87 -40.99 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -77.13 -27.47 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -68.94 -48.12 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -86.26 -51.55 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.3 162.83 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 63.25 54.46 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 p -113.57 -25.05 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -141.57 179.46 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.89 152.6 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.5 mm -103.89 145.39 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.7 mtt -119.21 160.55 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -20.45 34.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -96.1 34.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.59 138.06 31.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -102.38 142.43 33.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -92.67 102.01 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.44 -18.92 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -164.28 28.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -150.02 160.49 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.397 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.23 120.33 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.42 128.15 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -143.94 109.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -132.31 112.71 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.8 -47.85 43.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.91 -48.06 69.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -74.53 -19.41 60.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mttm 63.55 56.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.1 mt -134.42 123.04 23.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 59.7 mmm -129.79 113.81 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.5 153.08 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.68 122.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.2 t -140.77 105.82 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -139.64 169.2 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.7 t -50.18 140.18 13.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.68 90.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.8 pt -83.31 -175.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -50.54 153.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -71.7 -41.5 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -51.38 -36.07 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.1 ttm -77.05 -35.2 56.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.38 -25.42 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -64.91 -55.59 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.96 -33.17 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.38 -45.33 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.77 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.1 m -62.46 -42.43 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.56 66.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.11 -35.83 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -54.95 -29.88 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.25 -23.51 48.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -50.58 -30.76 13.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -51.91 -36.13 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -127.21 26.13 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.36 79.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -50.84 -31.06 16.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -75.97 79.47 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.64 137.3 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -145.16 109.98 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.5 p -110.66 122.75 48.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -52.04 149.62 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.33 107.95 19.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.8 mt -82.54 109.52 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.79 163.06 33.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.43 157.99 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.91 136.35 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -126.82 106.28 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.28 91.04 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.0 tt -97.62 130.34 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 110.94 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 154.75 40.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.02 106.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.98 45.2 7.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -153.67 141.08 19.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -51.6 157.03 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 140.36 42.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -118.11 119.43 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 106.85 18.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.65 119.89 58.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -91.68 118.15 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.9 t -126.77 125.57 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.98 145.28 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -58.53 -22.24 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.43 -20.82 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.12 19.04 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -63.34 -56.3 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.67 -51.13 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.23 -43.82 83.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -56.54 -50.6 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -56.29 -48.57 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.46 -29.84 64.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -49.97 75.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -55.38 -21.3 14.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -50.66 6.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.1 tt -71.05 -9.28 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.0 tp -81.74 9.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -116.29 81.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 69.73 81.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -133.25 79.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -46.17 155.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -54.26 -25.89 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -53.97 -46.44 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.22 -25.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.83 -50.66 63.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -50.98 -45.48 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.27 -43.61 88.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.73 -48.33 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 81.0 mt -54.74 -46.7 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -76.27 -24.35 54.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.17 -47.94 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -89.37 -52.44 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.03 133.47 34.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -76.72 -14.36 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p 50.03 42.77 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -94.24 -177.15 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.29 154.07 42.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 mp -102.99 129.77 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 mtt -137.81 160.6 64.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.19 37.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.62 2.213 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.3 -45.62 80.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.81 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -143.02 146.96 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.42 125.56 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 t -103.58 -15.3 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.73 159.53 21.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -131.83 137.15 47.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.2 t -130.69 113.65 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -96.41 115.88 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -123.96 112.18 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -125.53 108.49 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.13 61.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -52.29 60.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.24 -6.02 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.0 mttt 58.97 60.93 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 mt -130.38 125.47 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -121.55 116.17 24.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -131.65 127.89 37.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.0 m -129.75 123.74 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -143.32 98.21 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -123.65 170.82 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -50.65 133.21 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.86 107.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 30.4 pt -102.76 -175.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -51.38 139.67 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -39.64 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -52.17 -37.07 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.3 tpp -77.16 -27.86 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -56.76 -35.76 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -60.09 -55.14 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.26 -52.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.8 mt -55.99 -45.35 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.23 -42.45 95.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.11 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 96.2 m -57.57 -52.89 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.51 -27.85 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -72.4 -36.98 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.58 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -57.24 -23.8 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -56.43 -24.86 48.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.04 -23.7 55.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.11 26.5 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.4 -35.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.38 24.63 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.949 0.404 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -144.21 92.74 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.76 139.75 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.43 109.89 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.3 p -104.52 144.93 31.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.61 104.69 16.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.08 107.54 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m -104.96 155.83 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.671 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.92 151.64 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mmt -107.39 107.89 18.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.3 106.47 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -92.28 121.89 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.081 HD12 HD21 ' A' ' 33' ' ' LEU . 11.8 tt -132.54 130.03 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t -134.17 89.38 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.36 173.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.11 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.77 53.79 42.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -130.97 15.44 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.52 160.66 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 135.04 29.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.5 m -122.66 114.15 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -85.12 106.9 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.4 mt -107.08 109.77 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -84.37 119.05 24.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' OG ' ' A' ' 29' ' ' SER . 43.7 t -135.29 132.55 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.3 t -56.52 149.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' HG21 ' A' ' 65' ' ' VAL . 8.8 ptt? -52.86 -33.39 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -68.03 -32.63 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -98.42 12.67 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.14 -55.53 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 ' CG1' ' A' ' 92' ' ' ILE . 21.3 tp -55.71 -45.74 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.72 -50.2 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.571 ' OG ' HG11 ' A' ' 21' ' ' VAL . 18.7 m -53.81 -46.76 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.3 -42.29 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -57.91 -44.5 86.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.59 -30.26 61.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.081 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -64.08 -45.03 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -59.21 -21.7 59.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.75 -60.07 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -57.96 -38.55 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.97 -24.9 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -95.92 29.25 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.28 176.53 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -123.81 36.48 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 44' ' ' VAL . 2.7 m-20 -108.3 104.28 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -85.17 -16.25 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.68 -46.48 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 41' ' ' ASP . 10.1 p -60.23 -19.8 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.6 mtp -52.89 -51.17 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 tpp -52.91 -53.19 52.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.08 -31.7 65.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -74.39 -48.79 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 4.1 mt -65.33 -31.97 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.7 m -79.05 -50.41 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -83.9 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -93.24 124.35 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.6 tttp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -101.2 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.671 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.7 p -74.96 -23.3 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.17 171.52 26.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.74 151.02 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG13 HG12 ' A' ' 79' ' ' VAL . 66.7 t -131.08 115.78 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -90.32 120.72 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.85 116.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -131.34 119.66 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.67 33.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.08 -52.71 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -93.01 -11.85 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 63.58 56.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' HG2' ' A' ' 105' ' ' LYS . 7.5 mt -116.74 138.93 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.3 tmm? -134.47 122.52 22.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 m -141.33 130.77 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.3 m -126.78 122.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.42 97.01 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 84' ' ' ILE . 13.9 p90 -149.74 151.23 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -125.19 -169.97 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.5 50.79 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 81' ' ' PHE . 7.4 pt -139.94 154.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.08 156.55 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.18 -39.72 65.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.83 -27.59 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.418 ' O ' HD12 ' A' ' 92' ' ' ILE . 4.0 ttm -63.61 -30.78 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -57.01 -35.52 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -58.99 -53.63 56.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.04 -55.05 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 9.6 mt -52.51 -50.09 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -58.18 -47.28 83.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.12 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.5 m -59.27 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.694 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -61.43 -28.54 69.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.03 -38.83 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.13 -28.54 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.5 m-85 -57.57 -23.63 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -50.88 -30.72 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -54.96 -36.62 65.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -127.06 25.88 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.82 84.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -51.62 -30.37 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' HD22 ' A' ' 76' ' ' LEU . 12.9 tppt? -64.18 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.74 125.65 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -136.79 138.02 40.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.2 p -134.02 144.54 48.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.821 0.344 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.89 137.98 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.8 p -135.73 148.72 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.631 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.35 160.34 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.4 mmt -113.31 130.47 56.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -115.87 106.3 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -93.75 102.52 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.048 HD12 HD21 ' A' ' 33' ' ' LEU . 11.6 tt -107.44 128.91 62.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -134.02 108.83 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.21 149.76 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 111.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.35 44.37 8.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 m -160.45 140.5 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -51.7 157.01 2.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 153.66 68.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -128.02 118.63 23.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.15 106.79 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.56 110.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.05 130.63 35.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' HB3' ' A' ' 25' ' ' ARG . 21.1 t -137.97 142.9 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.3 151.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.703 ' CG ' HG21 ' A' ' 65' ' ' VAL . 9.7 tmm? -52.92 -51.24 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.51 -26.11 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HB3' HG12 ' A' ' 21' ' ' VAL . 16.5 tpp180 -90.9 4.37 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -62.26 -54.53 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.672 HD22 ' HG2' ' A' ' 88' ' ' MET . 23.3 tp -55.85 -45.26 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.41 -49.78 76.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -55.91 -49.28 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -60.67 -42.26 96.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t -57.73 -50.51 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -29.95 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.048 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.78 -44.96 88.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' C ' HG22 ' A' ' 37' ' ' ILE . 46.9 t80 -58.82 -21.6 56.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.76 -59.31 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.9 tt -57.31 -35.52 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.473 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.2 tp -62.93 -28.92 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.07 -26.05 64.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.17 -174.75 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -126.74 30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.97 106.55 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -30.68 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.32 -23.9 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.19 -20.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mmm -52.99 -51.99 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptm -52.17 -47.2 65.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -58.59 -41.78 86.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.32 -47.2 74.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 43.9 mt -56.41 -47.94 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.5 m -73.92 -27.05 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.25 -48.06 74.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -88.16 -55.69 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.97 104.14 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 tttp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.338 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.07 141.96 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.703 HG21 ' CG ' ' A' ' 23' ' ' MET . 10.5 p -116.09 -24.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.97 169.45 29.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -137.13 152.22 49.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.944 HG13 HG12 ' A' ' 79' ' ' VAL . 69.6 t -130.5 113.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.71 119.52 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.08 109.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -124.83 94.18 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.75 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.74 -52.83 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -98.76 9.63 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 51.74 48.04 23.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.0 124.14 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -127.82 120.1 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -141.47 134.88 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.944 HG12 HG13 ' A' ' 68' ' ' VAL . 33.0 m -130.06 132.26 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.7 m -144.47 103.32 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.659 ' CE2' HG21 ' A' ' 84' ' ' ILE . 19.2 p90 -150.34 148.84 29.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -122.69 -170.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.639 ' OD2' HG23 ' A' ' 65' ' ' VAL . 2.3 m-20 63.34 54.04 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.659 HG21 ' CE2' ' A' ' 81' ' ' PHE . 41.5 pt -136.77 -175.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -97.37 153.12 18.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.08 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.672 ' HG2' HD22 ' A' ' 27' ' ' LEU . 5.0 ttp -56.94 -27.96 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -59.22 -25.97 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -68.47 -55.38 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 27' ' ' LEU . 6.4 p -65.68 -34.82 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.605 HG12 HD13 ' A' ' 27' ' ' LEU . 26.8 mt -70.29 -45.67 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -66.24 -37.56 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.97 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.5 m -63.92 -37.26 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.62 -30.82 59.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.75 -35.82 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -27.64 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.473 ' CE2' HG21 ' A' ' 37' ' ' ILE . 15.2 m-85 -57.44 -23.6 50.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -50.67 -31.07 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.13 -37.41 54.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -127.04 25.98 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 79.85 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.54 -30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -72.56 79.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.6 p -119.39 136.15 57.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 20.5 p -140.29 134.04 30.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -99.23 117.21 33.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 p -120.48 149.07 42.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -121.03 153.32 37.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.9 mmt -106.38 124.1 49.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -109.34 106.91 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.92 115.52 28.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.058 HD12 HD21 ' A' ' 33' ' ' LEU . 10.1 tt -126.52 125.26 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -131.17 137.37 48.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 25.0 ttp -101.28 162.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 117.66 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.76 51.67 28.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -160.98 146.06 14.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -64.78 160.96 49.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.72 40.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 9' ' ' ILE . 88.4 m -111.14 115.26 29.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.31 106.9 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.87 104.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.03 130.91 36.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 25' ' ' ARG . 15.7 t -143.8 153.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 t -56.71 154.2 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -53.1 -44.87 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.99 -50.36 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HB2' HG12 ' A' ' 21' ' ' VAL . 47.4 mtp85 -58.08 -21.45 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 2.9 t80 -51.62 -49.76 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HG12 ' A' ' 92' ' ' ILE . 12.5 tp -55.69 -51.6 66.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -56.17 -47.13 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -49.85 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.78 -42.6 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -57.29 -47.6 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -72.8 -30.12 63.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.03 -43.11 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -59.41 -21.8 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -57.23 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 33' ' ' LEU . 13.7 tt -60.12 -33.75 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 33' ' ' LEU . 1.3 tp -65.89 -26.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.09 -27.81 35.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.14 -173.49 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -127.35 26.22 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.79 115.31 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -24.72 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.39 -26.33 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 36' ' ' ILE . 7.5 p -91.05 -25.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mtp -53.01 -52.09 59.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.1 ptm -57.7 -45.13 86.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.44 -38.72 90.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 67.1 t80 -65.74 -48.62 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 57.5 mt -60.14 -45.68 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -71.54 -28.01 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -68.76 -48.05 64.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -82.92 -59.12 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -66.57 98.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -72.3 128.34 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.792 HG21 ' HG3' ' A' ' 23' ' ' MET . 10.6 p -115.42 -22.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.52 164.94 37.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -149.65 142.79 25.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.004 HG13 HG12 ' A' ' 79' ' ' VAL . 99.5 t -131.03 124.89 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.58 115.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 HG12 ' A' ' 68' ' ' VAL . 85.2 t -127.13 110.78 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -120.61 117.39 27.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -79.99 -38.35 32.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.88 -49.56 62.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.47 -8.95 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 62.98 46.07 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 105' ' ' LYS . 4.0 mt -103.41 134.01 47.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.52 115.4 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 m -141.81 103.85 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.004 HG12 HG13 ' A' ' 68' ' ' VAL . 34.1 m -107.03 130.54 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.9 m -150.15 106.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 16.0 p90 -129.8 175.25 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 t -51.16 139.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 91.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 92' ' ' ILE . 28.6 pt -87.81 -175.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.2 154.5 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -73.47 -36.67 65.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.67 -44.33 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.0 tpt -77.05 -27.73 54.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -56.72 -37.7 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.89 -49.23 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.09 -52.95 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 51.4 mt -57.49 -46.49 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.5 -40.59 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.14 72.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -60.75 -50.63 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -63.28 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.91 -33.98 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -59.1 -30.27 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 37' ' ' ILE . 17.5 m-85 -56.98 -23.57 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -50.0 -31.59 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -52.02 -35.19 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -127.06 26.04 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.71 81.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.51 -30.03 18.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.776 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.99 70.51 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 96' ' ' ALA . 7.3 p -117.71 126.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.97 151.31 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 79' ' ' VAL . 18.4 p -138.17 151.0 47.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.6 mt -110.22 108.96 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.3 m -114.53 135.64 53.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.549 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -106.14 147.01 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mmt -108.17 121.96 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.81 106.35 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -95.85 103.02 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.893 HD12 HD21 ' A' ' 33' ' ' LEU . 12.1 tt -111.67 128.12 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -134.13 123.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.77 145.04 28.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 109.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 32.35 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t -154.76 151.06 28.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -62.43 160.63 31.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.5 40.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.7 m -112.33 114.59 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 m -85.09 106.79 16.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 53' ' ' ALA . 15.1 mt -108.65 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -87.21 116.4 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.5 t -131.78 128.57 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.17 151.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.549 ' CG ' HG21 ' A' ' 65' ' ' VAL . 2.1 tpt -55.91 -26.45 47.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.36 -25.65 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.7 9.47 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 68' ' ' VAL . 15.2 t80 -66.16 -56.63 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 92' ' ' ILE . 10.9 tp -56.46 -47.86 78.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.28 -48.02 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.5 t -55.3 -49.02 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -60.3 -42.58 95.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -57.3 -50.37 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.03 -30.0 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.893 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -63.16 -45.29 92.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.28 -21.44 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -56.83 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.472 HD11 HG13 ' A' ' 44' ' ' VAL . 11.2 tt -60.56 -38.0 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.3 tp -59.25 -27.84 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -103.8 29.55 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -121.78 -5.79 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 51.75 30.33 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -103.53 94.23 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -85.12 -16.32 40.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.82 -27.71 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 36' ' ' ILE . 14.8 p -91.14 -16.21 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmm -52.89 -50.47 63.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptp -51.84 -47.11 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.11 -37.15 86.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' HD23 ' A' ' 33' ' ' LEU . 62.8 t80 -65.78 -43.54 88.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.6 mt -68.11 -41.59 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.2 m -73.44 -26.37 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -75.95 -48.0 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.87 -56.12 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -76.41 131.1 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -68.53 152.14 45.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.5 p -115.4 -26.59 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 154.76 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.759 ' CZ ' HG21 ' A' ' 64' ' ' THR . 19.4 m-85 -118.72 138.43 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.049 HG13 HG12 ' A' ' 79' ' ' VAL . 87.2 t -131.12 116.18 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.76 132.28 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -143.48 109.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.4 112.93 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.52 62.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -97.62 -9.42 26.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 63.59 53.15 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.429 HD22 ' HG3' ' A' ' 105' ' ' LYS . 7.9 mt -127.64 136.34 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.33 131.64 36.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.62 106.78 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.049 HG12 HG13 ' A' ' 68' ' ' VAL . 33.5 m -104.12 131.47 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 t -150.16 104.18 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 92' ' ' ILE . 18.1 p90 -131.37 175.15 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -51.11 146.38 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.26 86.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.0 pt -83.93 -174.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.86 153.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.16 -41.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -51.61 -41.7 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -77.08 -34.5 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -56.9 -47.18 81.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.15 -41.4 71.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.82 -55.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.602 ' CG1' HD13 ' A' ' 27' ' ' LEU . 5.2 mt -57.67 -40.55 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.9 -40.16 91.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.2 71.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 m -62.38 -46.92 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.31 72.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.94 -34.26 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -28.43 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 37' ' ' ILE . 13.8 m-85 -55.82 -21.48 19.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -47.18 -30.13 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -50.82 -37.32 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -128.14 25.2 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -174.61 79.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -51.33 -30.07 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HG3' HD22 ' A' ' 76' ' ' LEU . 3.5 tmtt? -77.31 89.26 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' GLY . 92.6 t -126.78 130.72 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -132.15 137.41 47.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.485 HG22 HG22 ' A' ' 79' ' ' VAL . 36.5 p -134.14 135.23 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.741 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -96.45 108.32 20.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.63 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 p -111.6 164.39 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.26 141.61 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.7 mmt -100.79 117.28 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.96 106.44 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -94.69 103.59 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.845 HD12 HD21 ' A' ' 33' ' ' LEU . 14.9 tt -110.82 127.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.13 95.19 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ttp -51.9 161.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 118.6 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.36 52.93 45.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 p -153.9 141.07 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.828 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -51.74 156.85 2.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 139.69 40.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.9 m -116.81 115.48 25.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -84.77 106.9 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.9 mt -110.14 102.71 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.12 105.94 15.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.25 131.84 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.577 HG13 ' H ' ' A' ' 25' ' ' ARG . 9.4 p -51.92 156.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.425 ' HB2' HG11 ' A' ' 65' ' ' VAL . 3.8 ttt -66.58 -35.7 80.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.01 -25.59 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.577 ' H ' HG13 ' A' ' 22' ' ' VAL . 10.4 mtt180 -121.49 14.6 11.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.41 -56.6 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD11 ' HG3' ' A' ' 88' ' ' MET . 0.9 OUTLIER -55.93 -46.17 78.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.19 -47.53 84.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t -55.65 -49.68 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -60.19 -42.47 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.9 m -57.1 -50.38 72.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.03 -34.04 77.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -61.97 -43.43 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' O ' HG22 ' A' ' 37' ' ' ILE . 15.9 t80 -58.14 -21.98 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -61.62 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.0 tt -52.88 -33.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.8 tp -57.93 -28.99 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.15 -29.41 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -104.32 150.33 24.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -104.63 50.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.77 115.84 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.04 -26.02 27.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.45 -35.21 75.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.42 -24.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -51.98 59.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 ptm -52.13 -47.07 65.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.04 -37.28 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 69.2 t80 -67.08 -53.44 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 44.0 mt -55.18 -44.23 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -73.36 -29.9 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -64.94 -47.8 76.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -85.33 -57.68 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -72.89 110.96 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 mttt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 118.88 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.741 ' HB ' HD12 ' A' ' 3' ' ' LEU . 7.3 p -116.76 -23.91 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 115.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.63 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 79' ' ' VAL . 73.2 t -131.07 132.2 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.7 122.78 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' SD ' ' A' ' 77' ' ' MET . 49.9 t -135.39 109.94 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -133.26 95.95 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -65.25 -23.04 66.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.5 -52.76 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -98.04 9.55 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt 51.63 43.59 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.37 115.43 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.457 ' SD ' HG13 ' A' ' 70' ' ' VAL . 8.9 mmt -126.28 124.22 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -141.06 152.63 44.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 108' ' ' THR . 0.1 OUTLIER -144.03 127.95 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 105.63 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.66 ' CE2' HG21 ' A' ' 92' ' ' ILE . 11.6 p90 -131.35 170.22 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -51.69 128.6 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.78 106.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 92' ' ' ILE . 31.1 pt -103.61 -175.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.53 147.52 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.12 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -51.78 -46.0 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.454 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -76.92 -27.95 55.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -56.8 -41.84 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.33 -55.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 84' ' ' ILE . 83.1 mt -57.57 -55.37 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -54.75 -34.76 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.68 58.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 m -60.47 -35.08 75.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.636 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -77.85 -47.55 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 106' ' ' VAL . 21.8 mt-10 -65.82 -24.5 66.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -61.38 -26.48 67.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -55.42 -25.95 38.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.81 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -52.99 -37.39 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -22.15 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.43 50.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -130.35 135.97 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -64.03 108.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 96' ' ' ALA . 9.3 p -112.58 129.28 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -135.26 109.91 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 79' ' ' VAL . 27.0 p -101.18 153.65 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.6 mm? -93.49 107.91 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.49 144.74 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -113.73 150.03 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.88 113.48 25.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.62 106.27 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -92.53 106.84 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -118.41 131.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.2 104.87 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ttt -51.86 169.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.21 102.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.07 58.35 14.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -126.96 -79.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 177.22 156.32 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.58 13.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 9' ' ' ILE . 82.2 m -121.72 107.42 12.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.07 106.79 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -105.69 106.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -84.97 126.17 33.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.9 t -139.97 130.05 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 m -58.71 151.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.584 ' HB2' HG11 ' A' ' 65' ' ' VAL . 11.7 ttp -55.08 -33.91 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.25 -24.25 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.2 mtt85 -114.07 19.16 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -56.24 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.615 HD11 HG12 ' A' ' 91' ' ' VAL . 21.1 tp -56.91 -47.15 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.5 t -59.56 -49.86 76.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.62 -42.26 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -58.49 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.2 -33.84 76.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' C ' HG22 ' A' ' 37' ' ' ILE . 35.4 t80 -58.44 -21.96 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.36 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 33' ' ' LEU . 12.8 tt -54.72 -36.75 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.468 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -61.75 -28.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.46 -36.66 74.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -95.64 158.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -102.81 48.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -88.1 107.24 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.8 m -81.19 -51.29 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -55.79 -26.17 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.76 -23.86 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -56.05 -52.12 65.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.42 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.3 tpt -54.72 -56.76 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.21 -36.25 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -68.05 -44.74 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.8 mt -62.21 -41.08 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.5 m -78.44 -26.11 46.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -70.29 -47.92 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -88.5 -49.33 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -93.16 145.09 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.28 131.21 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -105.63 -22.16 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.01 154.61 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.9 137.21 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.02 119.54 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.33 130.68 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -146.8 110.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -131.01 111.45 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.96 55.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.98 -52.83 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -88.31 1.4 54.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 51.78 51.52 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.58 123.08 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.99 122.46 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.81 154.34 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 108' ' ' THR . 0.2 OUTLIER -138.49 133.03 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.36 98.06 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.629 ' HD2' HG21 ' A' ' 84' ' ' ILE . 5.1 m-85 -97.14 134.82 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -126.61 131.54 51.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.49 63.19 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.629 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.4 pt -130.96 178.48 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -97.97 160.21 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.07 -40.77 59.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.74 -51.84 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -27.87 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -56.92 -31.48 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -60.49 -55.12 37.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 HD11 ' A' ' 27' ' ' LEU . 50.6 t -64.15 -50.16 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' CE2' ' A' ' 81' ' ' PHE . 22.8 mt -55.49 -50.04 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -59.06 -49.34 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.05 -48.66 70.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -59.02 -53.89 53.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.26 -26.38 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.02 -42.01 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -29.32 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.6 m-85 -57.3 -23.74 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -51.15 -30.46 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -51.84 -40.55 60.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.04 25.97 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.58 83.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -51.48 -50.85 59.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.57 88.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.72 124.74 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.9 118.08 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 HG21 ' A' ' 79' ' ' VAL . 60.6 p -110.14 116.67 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 65' ' ' VAL . 8.0 mp -74.77 140.21 43.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' VAL . 73.5 m -141.38 165.45 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -125.95 144.78 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.32 140.6 32.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.87 106.38 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -94.75 97.87 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 10.7 tt -103.09 129.34 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -133.48 94.91 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 148.33 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 121.95 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 49.93 12.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 m -160.03 179.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.97 160.74 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.44 17.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 9' ' ' ILE . 95.1 m -110.55 119.3 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 mt -107.55 125.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 p -104.12 125.45 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 29' ' ' SER . 46.9 t -126.72 137.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 25' ' ' ARG . 6.0 m -53.07 156.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.788 ' HG3' HG11 ' A' ' 65' ' ' VAL . 1.6 tmt? -73.22 -11.49 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.34 -17.15 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' H ' HG23 ' A' ' 22' ' ' VAL . 17.3 tpp180 -124.31 9.2 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -54.28 -37.13 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 88' ' ' MET . 10.3 tp -68.18 -52.2 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.95 -43.96 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 21' ' ' VAL . 99.6 p -63.65 -47.77 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.74 -42.77 93.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -61.48 -52.33 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.39 -35.44 75.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -64.3 -44.18 92.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.507 ' O ' HG22 ' A' ' 37' ' ' ILE . 13.2 t80 -57.55 -21.91 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -60.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG22 ' HA ' ' A' ' 33' ' ' LEU . 19.2 tt -54.67 -33.04 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.2 tp -56.1 -27.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.26 -25.44 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -95.58 166.05 12.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.97 43.2 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.4 93.4 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -81.02 -28.86 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.41 -33.43 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.78 -16.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.2 mtp -52.91 -50.58 63.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -51.86 -47.12 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -58.48 -38.88 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CE2' HD23 ' A' ' 33' ' ' LEU . 33.9 t80 -65.06 -52.67 54.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 45' ' ' MET . 3.1 mt -60.02 -40.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 m -74.26 -26.2 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -78.41 -48.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -80.01 -54.84 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.48 143.25 32.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -110.09 131.99 54.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.788 HG11 ' HG3' ' A' ' 23' ' ' MET . 35.0 m -111.29 -16.47 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.85 169.19 29.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 69' ' ' VAL . 15.1 t80 -137.11 133.18 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.841 HG13 HG12 ' A' ' 79' ' ' VAL . 86.7 t -111.73 126.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 67' ' ' PHE . 21.8 t -105.55 117.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.0 t -128.01 109.85 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -122.43 99.06 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.71 -28.69 63.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -71.61 -52.69 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -80.81 -11.73 59.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 63.92 52.85 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.32 122.48 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.14 122.78 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -141.5 107.49 5.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.841 HG12 HG13 ' A' ' 68' ' ' VAL . 12.9 m -93.93 137.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 t -126.25 96.77 4.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.434 ' CE2' HD13 ' A' ' 92' ' ' ILE . 8.8 m-85 -103.07 135.41 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -139.44 145.33 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.39 55.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.406 HD11 ' HG2' ' A' ' 89' ' ' LYS . 23.3 pt -128.97 159.87 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.34 154.01 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.91 -29.91 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.1 -47.26 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.417 ' CG ' HD22 ' A' ' 27' ' ' LEU . 2.0 tpp -57.7 -28.05 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HG2' HD11 ' A' ' 84' ' ' ILE . 13.8 mtpp -56.92 -37.4 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.9 -55.1 38.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.69 -56.03 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 ' CE2' ' A' ' 81' ' ' PHE . 54.2 mt -53.66 -47.72 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -58.02 -41.79 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.02 94.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -62.78 -43.32 99.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.16 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.47 -31.52 62.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -61.09 -26.72 67.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.9 m-85 -56.51 -23.21 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HG2' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -49.77 -29.8 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -50.69 -44.12 57.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -127.27 26.26 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.38 88.51 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -60.5 -25.09 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -102.35 95.18 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.67 HG11 ' HG2' ' A' ' 100' ' ' LYS . 7.4 p -133.4 145.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -151.02 149.95 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 19.1 p -141.87 127.27 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.434 ' C ' HD22 ' A' ' 3' ' ' LEU . 1.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.784 0.326 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.682 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -116.91 143.78 45.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.489 ' C ' HG12 ' A' ' 65' ' ' VAL . 13.8 p -145.77 147.77 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.72 141.33 35.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 mmt -94.01 108.86 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' A' ' 70' ' ' VAL . 1.6 t80 -98.04 106.4 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -94.33 107.5 19.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.034 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -113.86 129.03 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.14 93.38 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 154.09 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 108.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 45.01 6.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -152.99 153.64 33.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -66.6 160.85 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 121.69 8.38 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' ' 9' ' ' ILE . 86.9 m -101.26 112.93 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.22 106.71 14.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.433 HG12 HG23 ' A' ' 49' ' ' ILE . 21.8 mt -106.48 108.19 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.84 125.04 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' A' ' 25' ' ' ARG . 20.4 t -124.92 151.05 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.21 154.34 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.445 ' SD ' HG11 ' A' ' 65' ' ' VAL . 6.9 tpt -61.43 -17.99 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.95 4.73 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 tpp180 -119.98 -12.31 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.6 -37.53 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.73 -53.59 38.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.88 -43.17 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.93 -42.49 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -59.28 -50.66 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.59 -30.18 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -64.92 -45.96 83.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' C ' HG22 ' A' ' 37' ' ' ILE . 21.2 t80 -58.09 -21.42 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.65 -61.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -56.36 -39.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.502 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.3 tp -52.61 -29.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.27 -25.96 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -107.29 -173.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -125.28 26.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.8 102.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.03 -28.98 25.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -71.8 -25.02 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -88.22 -19.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 mtp -52.97 -51.97 59.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 ptm -51.83 -47.76 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -38.1 82.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.02 -53.77 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 6.2 mt -54.98 -43.57 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -74.5 -28.51 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -65.8 -47.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -87.09 -56.09 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -77.59 145.93 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.08 124.25 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.682 ' HB ' HD12 ' A' ' 3' ' ' LEU . 14.5 p -116.91 -19.0 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.47 166.56 39.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.87 144.2 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG13 ' A' ' 79' ' ' VAL . 51.0 t -131.06 118.14 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.46 115.48 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' HE1' ' A' ' 7' ' ' TYR . 97.8 t -130.01 110.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -132.14 105.38 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.627 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -70.78 -23.75 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -64.67 -52.93 54.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -98.74 6.8 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 53.13 13.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.99 125.15 53.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 122.84 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -141.56 146.14 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.59 128.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.59 112.39 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' HE2' HG21 ' A' ' 92' ' ' ILE . 16.8 m-85 -115.51 155.92 26.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.41 121.34 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.32 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -126.85 148.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.1 156.45 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.01 -60.13 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -33.59 67.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -36.35 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -56.93 -37.25 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.11 -55.07 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.75 -56.13 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 81' ' ' PHE . 65.1 mt -54.45 -48.36 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.23 -39.9 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.02 72.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -60.89 -36.67 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.63 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' HA ' HG11 ' A' ' 106' ' ' VAL . 4.2 tt0 -74.01 -34.31 64.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -26.76 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -56.55 -23.4 39.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.64 -31.42 10.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -52.95 -38.99 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -127.15 26.16 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.43 83.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -51.07 -30.86 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.77 86.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 97' ' ' GLU . 22.0 t -129.47 125.77 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -135.78 109.94 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.32 137.06 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.789 HD22 HG12 ' A' ' 65' ' ' VAL . 67.4 mt -83.38 107.44 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' HG22 ' A' ' 65' ' ' VAL . 20.1 p -119.56 161.42 20.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.03 140.37 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 132.17 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -134.81 106.4 6.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -94.05 93.64 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.967 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -99.6 130.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.11 146.34 50.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 ttt -114.97 165.67 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 117.97 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.77 37.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -160.08 131.16 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.54 157.21 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.93 15.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -97.75 119.05 35.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.47 106.81 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -107.37 130.63 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 m -105.82 111.69 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.807 HG11 ' HB3' ' A' ' 29' ' ' SER . 21.4 t -118.42 129.26 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG22 ' H ' ' A' ' 24' ' ' ASP . 9.4 p -51.94 146.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.559 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -55.59 -37.94 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 22' ' ' VAL . 26.4 t0 -63.7 -16.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.16 19.27 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -56.56 18.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 HG22 ' A' ' 91' ' ' VAL . 30.9 tp -60.27 -50.92 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.91 -51.0 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.807 ' HB3' HG11 ' A' ' 21' ' ' VAL . 60.6 p -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 6.5 t80 -61.45 -42.13 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -58.76 -47.61 84.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -33.31 74.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.94 -44.12 93.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.91 -21.84 58.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -59.73 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.5 tt -55.76 -34.37 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.587 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.1 tp -67.62 -25.81 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.31 -25.51 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.57 157.08 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.32 52.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.95 102.86 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -32.57 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.98 -25.76 61.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -81.42 -22.81 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.4 mmm -53.19 -52.02 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 tpt -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.09 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.25 -51.0 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 15.4 mt -54.91 -44.55 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t -75.37 -28.52 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -66.7 -48.09 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -86.33 -54.72 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.0 96.21 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 tttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.733 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -78.75 144.76 34.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.789 HG12 HD22 ' A' ' 3' ' ' LEU . 17.5 m -117.28 -0.83 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.81 158.24 8.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 64' ' ' THR . 27.1 m-85 -129.94 126.98 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 7' ' ' TYR . 98.5 t -115.62 111.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 t -94.3 115.36 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 68' ' ' VAL . 80.6 t -135.82 116.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -135.61 122.91 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -71.53 -35.33 70.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.3 -53.86 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -99.68 13.51 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.5 pttt 39.75 54.84 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' HG2' ' A' ' 105' ' ' LYS . 39.9 mt -112.36 134.81 53.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -133.83 116.19 15.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -139.52 125.61 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 m -115.42 108.96 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -105.93 98.24 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -100.64 135.67 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -73.73 -169.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -51.55 103.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.571 HD11 ' HD3' ' A' ' 89' ' ' LYS . 3.7 pt -129.5 -178.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.2 160.02 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.1 -40.18 60.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.74 -54.08 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.554 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -65.91 -27.75 68.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.571 ' HD3' HD11 ' A' ' 84' ' ' ILE . 3.3 tppp? -58.93 -25.76 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -55.49 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.435 HG22 HD11 ' A' ' 27' ' ' LEU . 5.8 p -63.96 -33.81 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' HG2' ' A' ' 88' ' ' MET . 58.0 mt -69.94 -56.08 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -59.83 -33.28 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.29 47.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.4 m -62.35 -34.26 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.19 56.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.37 -33.98 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -31.03 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 37' ' ' ILE . 21.4 m-85 -56.96 -23.48 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.79 -31.03 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -51.63 -41.04 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 26.2 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -160.51 83.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -51.75 -29.85 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HG2' HD22 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -84.81 91.73 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 103' ' ' GLY . 94.4 t -121.37 122.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -129.55 159.01 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 p -147.31 159.88 43.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.05 109.46 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.71 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.0 p -107.22 156.03 19.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -123.77 149.15 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.2 mmt -107.97 110.34 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -104.77 106.3 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -91.1 119.47 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.987 HD12 HD21 ' A' ' 33' ' ' LEU . 12.4 tt -125.51 123.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.09 97.69 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.566 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -54.53 173.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.49 -65.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.85 64.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -160.71 151.57 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -68.3 160.77 73.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.63 30.91 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.727 HG21 HD13 ' A' ' 49' ' ' ILE . 70.7 m -118.27 122.05 41.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.02 106.67 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.0 mt -102.77 104.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -81.2 114.97 20.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 40.0 t -129.85 132.37 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 25' ' ' ARG . 27.5 m -57.17 155.76 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.644 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.7 ptt? -60.71 -22.47 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.75 -26.04 59.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.7 18.35 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.34 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -48.96 79.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -52.96 -51.12 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -57.76 -47.47 82.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' HE2' HG12 ' A' ' 79' ' ' VAL . 1.4 t80 -61.37 -42.23 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -58.91 -51.31 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.28 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.987 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.47 -21.69 64.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.47 -57.68 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -59.85 -37.84 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -59.28 -28.55 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.6 -25.93 64.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.22 -174.75 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.3 29.57 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -77.97 101.12 6.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -26.85 26.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -73.64 -24.67 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -87.0 -19.33 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mmm -52.85 -52.13 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -53.59 -44.07 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.49 -38.02 83.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.97 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.727 HD13 HG21 ' A' ' 17' ' ' THR . 9.5 mt -70.56 -39.85 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 t -74.42 -25.79 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.58 -48.02 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.86 -54.15 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -82.34 132.16 35.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.907 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -78.92 117.91 20.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 4' ' ' CYS . 11.1 p -97.91 -24.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.41 160.19 21.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.61 143.82 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.28 124.38 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.65 121.29 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.26 110.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -122.16 104.98 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' C ' ' A' ' 11' ' ' MET . . . -67.86 -38.87 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -52.62 -53.05 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -98.98 15.9 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp 38.6 55.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD22 ' HD2' ' A' ' 105' ' ' LYS . 58.8 mt -112.0 137.57 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.409 ' HE1' ' H ' ' A' ' 105' ' ' LYS . 3.8 mpp? -134.69 120.61 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' CG2' HG22 ' A' ' 108' ' ' THR . 33.8 m -115.64 130.83 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.8 m -130.22 96.9 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.743 ' CE2' HD13 ' A' ' 92' ' ' ILE . 7.8 m-85 -100.32 136.28 40.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.7 m -130.75 131.37 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.34 61.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.553 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.0 pt -127.29 175.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 159.83 19.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.96 -40.74 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.35 -52.5 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.505 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -57.15 -28.68 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -57.77 -39.21 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -55.09 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.2 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.743 HD13 ' CE2' ' A' ' 81' ' ' PHE . 59.5 mt -54.95 -38.54 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -65.69 -42.96 90.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.93 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -49.39 77.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.84 -27.95 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -74.26 -40.27 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -54.5 -31.0 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.1 m-85 -56.13 -25.33 45.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -14.31 60.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -85.18 -11.56 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -120.37 -22.06 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.96 -26.31 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 59.02 21.31 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HD2' HD22 ' A' ' 76' ' ' LEU . 2.1 tmtp? -144.13 79.25 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 96' ' ' ALA . 10.3 p -116.84 136.6 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -139.84 118.99 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.569 HG22 ' CG2' ' A' ' 79' ' ' VAL . 19.6 p -107.57 137.28 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.533 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 2' ' ' THR . 4.2 mm? -126.17 118.93 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.98 162.38 17.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -125.94 152.11 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mmt -107.98 122.11 46.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -105.68 145.9 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -131.92 92.81 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.938 HD12 HD11 ' A' ' 33' ' ' LEU . 11.8 tt -102.61 130.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 93.02 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.453 ' SD ' HG23 ' A' ' 42' ' ' THR . 10.2 ttt -52.37 166.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.51 117.29 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.88 53.63 39.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -153.51 140.34 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -52.19 160.67 1.17 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.42 14.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 HG21 ' CD1' ' A' ' 49' ' ' ILE . 96.8 m -105.53 115.79 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 106.82 17.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -108.43 110.13 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.32 130.13 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.03 137.67 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 25' ' ' ARG . 26.8 m -59.89 160.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -13.0 60.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.2 -24.53 32.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.6 ' H ' HG23 ' A' ' 22' ' ' VAL . 4.2 mpt_? -121.38 12.34 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 3.7 t80 -64.84 -55.56 18.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 92' ' ' ILE . 8.9 tp -55.31 -42.83 74.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.06 -50.49 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.01 -44.23 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.05 -42.73 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -57.27 -50.55 72.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.39 -39.59 74.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -53.93 -41.94 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.41 -21.09 66.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -29.75 27.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 tt -91.34 -31.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -59.31 -21.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.81 -24.91 55.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -79.79 179.15 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -115.87 -20.45 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HB2' HG23 ' A' ' 44' ' ' VAL . 1.7 p30 -51.05 103.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 HG23 ' SD ' ' A' ' 11' ' ' MET . 1.5 m -85.02 -22.05 29.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.92 -13.8 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 41' ' ' ASP . 47.2 t -88.58 -23.91 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.2 mmm -53.03 -51.9 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptm -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.8 -36.86 83.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.36 -40.45 89.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 10.5 mt -73.45 -37.45 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.1 t -76.47 -25.05 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -82.02 -46.31 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -81.21 -50.58 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -90.54 135.69 33.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.8 m -103.04 125.54 49.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.98 -21.84 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.37 -169.4 33.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -149.98 161.06 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 79' ' ' VAL . 85.7 t -131.31 132.44 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.4 t -104.26 125.67 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.3 t -139.41 122.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -138.41 119.45 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.84 -25.43 35.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -67.07 -52.79 37.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.68 4.37 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 51.84 59.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.545 HD23 ' CD ' ' A' ' 105' ' ' LYS . 4.3 mt -117.59 122.17 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -132.37 111.32 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 m -141.58 108.57 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 68' ' ' VAL . 17.2 m -98.76 136.33 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m -141.52 107.17 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -130.9 161.47 31.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -54.93 170.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.0 107.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 81' ' ' PHE . 38.1 pt -90.58 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.32 177.63 8.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.13 -60.09 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.71 -47.18 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.485 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.4 OUTLIER -57.29 -38.72 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -56.81 -40.05 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -60.56 -55.09 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.73 -56.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 27' ' ' LEU . 10.3 mt -53.82 -42.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -41.56 98.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.21 -50.15 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -60.83 -48.94 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.12 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -29.17 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CE1' HG21 ' A' ' 37' ' ' ILE . 3.7 m-85 -57.42 -23.24 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -31.82 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -51.96 -37.97 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -127.31 26.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.52 80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -50.67 -31.13 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.545 ' CD ' HD23 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -73.14 77.51 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 p -113.14 138.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.54 147.3 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 32.7 p -146.16 131.41 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.7 mt -106.68 107.54 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 55.5 m -107.52 162.49 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -125.69 155.4 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 108.84 18.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.38 106.37 16.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -94.14 121.53 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -129.98 127.32 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 92.45 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.467 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 13.8 ttp -51.92 168.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 107.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.72 49.43 23.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.9 t -146.22 136.93 24.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -51.6 157.01 1.98 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 HG21 ' CD1' ' A' ' 49' ' ' ILE . 90.0 m -80.46 120.61 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 106.86 17.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.8 mt -111.17 103.52 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.58 120.22 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 29' ' ' SER . 26.2 t -130.48 130.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 24' ' ' ASP . 10.8 p -55.53 151.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.803 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -57.35 -33.52 67.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -70.88 -9.47 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HB2' HG12 ' A' ' 21' ' ' VAL . 61.3 mtt180 -118.38 17.32 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -53.63 23.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.608 HD21 ' CG1' ' A' ' 91' ' ' VAL . 0.1 OUTLIER -55.74 -52.25 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.0 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 21' ' ' VAL . 28.6 t -53.38 -56.65 15.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -42.06 97.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -54.01 -44.03 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -80.02 -33.16 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' C ' HG22 ' A' ' 37' ' ' ILE . 18.0 t80 -59.11 -21.74 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.13 -60.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 tt -56.9 -38.15 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.497 HD13 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -57.8 -28.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -72.36 -28.39 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -94.2 164.57 12.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.93 44.66 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -89.65 106.5 18.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.02 -28.76 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.81 -36.04 72.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.64 -24.3 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtp -53.15 -51.96 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.8 tpp -53.75 -54.03 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.14 -35.46 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.15 -44.27 80.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.508 ' CD1' HG21 ' A' ' 17' ' ' THR . 10.0 mt -65.12 -40.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -76.26 -26.67 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -73.8 -44.08 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.09 -55.55 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -84.68 146.61 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 tttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.59 126.3 31.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -117.47 -11.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.29 147.55 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -134.07 142.87 47.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.528 HG13 HG12 ' A' ' 79' ' ' VAL . 69.3 t -130.81 117.25 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.9 t -95.34 116.06 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 37' ' ' ILE . 99.7 t -123.73 112.32 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -125.51 111.66 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -76.61 -39.74 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.51 -52.66 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -82.97 -14.86 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 mttm 63.61 54.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 105' ' ' LYS . 9.7 mt -122.88 124.15 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.46 ' SD ' HG13 ' A' ' 70' ' ' VAL . 18.1 mmt -122.1 120.07 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -141.63 133.99 28.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 108' ' ' THR . 17.7 m -126.12 136.34 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.9 m -135.85 96.92 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' HD13 ' A' ' 92' ' ' ILE . 10.1 m-85 -99.96 135.65 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.43 125.95 49.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.83 86.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 pt -138.74 -178.4 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.04 167.22 11.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.07 -36.13 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -26.45 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.601 ' CG ' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -77.11 -40.44 45.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -63.45 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -70.21 -55.72 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.608 ' CG1' HD21 ' A' ' 27' ' ' LEU . 7.4 p -63.61 -38.37 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.49 HD11 ' HG2' ' A' ' 88' ' ' MET . 76.3 mt -67.99 -43.12 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.57 -38.96 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.84 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.0 m -61.18 -41.73 97.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.55 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.576 ' HA ' HG11 ' A' ' 106' ' ' VAL . 14.9 mm-40 -68.29 -31.49 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.13 -26.7 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -56.12 -23.45 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -49.96 -30.79 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -54.43 -38.04 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -127.11 26.09 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -179.4 83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -50.81 -30.47 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 76' ' ' LEU . 5.8 tmtt? -70.12 83.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 97' ' ' GLU . 53.1 t -126.14 126.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -133.74 146.57 50.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.608 HG22 HG22 ' A' ' 79' ' ' VAL . 25.4 p -138.46 145.38 40.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.813 0.339 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.485 HD12 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mm? -96.27 107.61 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' C ' HG12 ' A' ' 65' ' ' VAL . 26.5 p -112.24 150.4 30.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -116.79 145.03 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 129.83 45.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 2.0 t80 -124.83 106.24 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -94.07 100.24 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.94 HD12 HD11 ' A' ' 33' ' ' LEU . 11.1 tt -111.0 127.9 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -134.1 95.78 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.63 174.25 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.09 101.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.08 32.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -133.02 11.76 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.03 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.53 16.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.46 ' HB ' HG23 ' A' ' 9' ' ' ILE . 97.3 m -115.91 115.02 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.96 106.86 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.3 mt -110.61 118.43 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.63 130.24 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.64 134.78 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.9 t -55.89 148.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.683 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.7 ptm -52.93 -33.36 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 43.3 t0 -76.35 -29.68 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -97.03 9.19 42.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.88 -56.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CG1' ' A' ' 92' ' ' ILE . 13.3 tp -55.79 -42.35 75.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.94 -49.64 73.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -54.62 -46.3 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.38 -42.56 96.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -55.91 -51.05 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.25 -38.93 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 9' ' ' ILE . 1.4 tp -54.24 -40.64 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -67.76 -20.79 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.57 -29.37 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.51 -32.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -23.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.99 -25.48 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.74 179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -123.1 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.8 p-10 -51.85 129.13 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.11 -18.6 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.32 -22.58 53.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 41' ' ' ASP . 14.6 p -89.78 -27.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mtp -56.42 -52.15 65.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.27 -58.76 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.82 -35.88 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 33' ' ' LEU . 57.1 t80 -66.84 -52.04 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 8.7 mt -55.2 -45.13 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.01 -28.33 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.24 -47.96 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.41 -56.6 3.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -75.31 117.21 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD3' HD21 ' A' ' 3' ' ' LEU . 11.1 ptmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.86 129.47 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 23' ' ' MET . 10.6 p -102.78 -21.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.66 162.58 28.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -136.11 140.3 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.727 HG13 HG12 ' A' ' 79' ' ' VAL . 80.2 t -131.15 127.07 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -106.4 115.96 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 77' ' ' MET . 90.1 t -127.43 117.08 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.94 105.09 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.73 -23.64 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.04 -50.81 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -98.6 19.66 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 38.71 47.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.0 mt -103.63 127.61 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 70' ' ' VAL . 13.2 mmt -137.85 111.64 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -141.53 127.12 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.727 HG12 HG13 ' A' ' 68' ' ' VAL . 21.9 m -123.97 123.69 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.65 102.6 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 10.5 p90 -126.98 173.07 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -51.64 151.93 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.6 101.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 92' ' ' ILE . 31.1 pt -97.54 -177.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.08 164.66 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.03 -32.6 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.1 -40.17 67.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.581 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.2 mtt -77.04 -33.08 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -56.93 -35.2 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.63 -55.06 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.73 -51.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.792 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 37.3 mt -55.31 -39.88 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -66.13 -45.91 79.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.97 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 m -59.24 -49.9 76.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.66 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -68.79 -36.57 78.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -63.35 -32.48 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.17 -23.79 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HG3' HG21 ' A' ' 106' ' ' VAL . 42.4 mttt -50.82 -30.76 15.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -51.86 -36.79 49.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -127.09 25.42 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.81 78.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -51.78 -29.93 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -72.98 77.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.463 HG21 ' HG3' ' A' ' 100' ' ' LYS . 53.1 t -112.71 128.85 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -138.06 111.16 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -109.36 121.99 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.697 HD22 ' CG1' ' A' ' 65' ' ' VAL . 40.3 mt -91.39 108.27 19.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.721 ' O ' HG22 ' A' ' 65' ' ' VAL . 31.2 p -118.74 169.37 9.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -136.58 161.84 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.5 mmt -107.24 133.69 51.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.25 106.38 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.14 107.74 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.009 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -118.8 122.22 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.98 123.38 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.0 152.26 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 114.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.2 47.04 7.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -168.22 136.12 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -51.78 156.93 2.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.1 69.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.601 HG21 HD13 ' A' ' 49' ' ' ILE . 98.2 m -120.87 118.84 30.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.49 106.8 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.6 mt -110.67 107.7 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.99 129.69 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.9 145.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 25' ' ' ARG . 5.7 m -52.06 158.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.675 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -74.33 -25.08 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.42 -25.55 54.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' H ' HG23 ' A' ' 22' ' ' VAL . 22.4 ttp180 -107.43 -8.53 16.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 5' ' ' ALA . 2.9 t80 -51.65 -46.46 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 91' ' ' VAL . 25.1 tp -55.77 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.81 -46.57 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.16 -49.32 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.92 -42.48 94.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -57.89 -48.7 79.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.54 -33.25 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.009 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -61.17 -43.82 98.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 37' ' ' ILE . 29.9 t80 -58.05 -21.66 46.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -61.23 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 33' ' ' LEU . 20.4 tt -53.74 -33.42 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.1 tp -55.88 -29.11 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -111.96 29.71 7.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.63 -4.98 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 52.04 30.01 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.0 94.37 7.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.8 p -85.03 -48.48 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.97 -27.9 61.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -87.86 -20.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.695 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.99 -52.19 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptp -52.08 -45.74 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -64.85 -42.22 95.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.15 -35.24 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.601 HD13 HG21 ' A' ' 17' ' ' THR . 46.0 mt -73.86 -48.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -69.08 -20.32 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -85.18 -46.46 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -80.35 -59.21 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -61.66 143.67 55.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HB3' HD23 ' A' ' 3' ' ' LEU . 73.7 tttt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -69.19 135.78 51.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 4' ' ' CYS . 6.1 m -113.94 -20.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.18 157.9 18.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -133.19 143.84 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG22 ' CG1' ' A' ' 79' ' ' VAL . 91.2 t -120.12 137.95 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.9 t -114.3 123.3 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 77' ' ' MET . 86.2 t -134.9 109.88 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -122.15 94.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -67.95 -43.91 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.35 -0.15 44.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm 56.73 51.62 10.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -128.64 123.75 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.517 ' HB2' HG22 ' A' ' 106' ' ' VAL . 12.4 mmt -116.77 130.77 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.48 154.66 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.502 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.19 136.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 m -134.56 96.91 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.723 ' CE2' HD13 ' A' ' 92' ' ' ILE . 5.5 m-85 -104.31 135.12 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -134.88 135.04 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.32 64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.99 169.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.68 160.15 26.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.8 -41.93 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -60.29 -44.47 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.517 ' HG2' HD11 ' A' ' 92' ' ' ILE . 1.8 ttt -62.48 -32.83 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -60.57 -25.8 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -70.09 -55.42 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 7.6 p -65.73 -37.43 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.723 HD13 ' CE2' ' A' ' 81' ' ' PHE . 58.4 mt -67.4 -49.76 68.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -62.42 -41.04 98.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.34 -49.59 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -61.31 -40.25 93.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.82 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.5 -34.81 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.75 54.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.43 -23.1 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.75 -30.75 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -51.99 -29.98 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -117.31 -22.31 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -144.19 85.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.27 -28.94 13.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 77.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 77' ' ' MET . 95.0 t -116.83 143.29 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -138.74 110.02 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.0 p -105.87 119.75 39.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.77 HD12 HG22 ' A' ' 65' ' ' VAL . 4.3 mm? -79.31 107.57 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -130.55 172.0 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 155.25 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.44 122.47 42.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.08 106.48 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.39 111.91 23.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 9.4 tt -124.95 122.17 62.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.56 100.64 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.15 171.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.51 -30.49 20.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.34 61.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -141.66 17.47 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.86 43.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.0 m -130.04 117.58 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.12 106.77 18.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' A' ' 53' ' ' ALA . 14.4 mt -106.92 107.91 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.2 117.97 23.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.6 132.92 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 24' ' ' ASP . 35.9 t -51.98 145.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.658 ' HG3' HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -54.81 -31.17 58.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 22' ' ' VAL . 18.5 t0 -70.17 -27.4 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -110.62 15.62 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.77 -56.51 11.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 ' CG1' ' A' ' 92' ' ' ILE . 6.6 tp -57.42 -43.36 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.93 -51.02 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -54.81 -48.98 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.55 -42.24 98.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -56.28 -49.55 73.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.1 -34.03 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' C ' HG22 ' A' ' 37' ' ' ILE . 28.9 t80 -59.2 -21.32 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -57.84 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.7 tt -59.08 -34.12 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.524 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -61.68 -27.51 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.0 -25.53 66.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.18 164.82 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -112.44 44.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 m-20 -94.7 109.85 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -85.16 -21.22 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.76 -29.57 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 36' ' ' ILE . 10.5 p -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.4 mmm -52.93 -51.89 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.9 ptm -56.12 -45.75 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.7 -41.53 81.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' A' ' 33' ' ' LEU . 64.6 t80 -65.93 -48.77 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt -55.14 -48.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t -72.72 -27.76 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.08 -48.0 75.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -87.24 -57.2 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -71.07 128.01 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 3' ' ' LEU . 25.0 ttmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.924 0.393 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 128.97 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 3' ' ' LEU . 42.9 t -108.72 -23.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.83 160.32 24.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -127.48 140.65 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.079 HG13 HG12 ' A' ' 79' ' ' VAL . 90.2 t -126.83 106.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -89.42 115.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.458 HG23 HG12 ' A' ' 68' ' ' VAL . 72.7 t -132.01 109.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -126.15 118.95 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.07 -38.55 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -54.3 -53.07 58.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' LYS . 33.4 mttm -98.92 16.11 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 37.82 44.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.2 mt -102.97 115.22 30.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.13 95.29 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -122.27 115.89 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.079 HG12 HG13 ' A' ' 68' ' ' VAL . 22.6 m -108.22 135.05 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.8 t -150.21 107.34 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 92' ' ' ILE . 19.9 p90 -134.83 172.81 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.5 p -51.28 142.43 13.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.52 89.05 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' A' ' 92' ' ' ILE . 27.4 pt -83.63 -175.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.02 158.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.9 -42.09 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.17 -45.94 65.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.1 ttt -77.08 -39.42 49.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -56.73 -49.8 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -51.9 -44.44 63.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.405 HG12 HD11 ' A' ' 27' ' ' LEU . 65.9 t -62.3 -54.68 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 81' ' ' PHE . 19.3 mt -54.51 -48.39 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -58.28 -45.33 88.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -58.54 -48.41 80.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.73 -31.53 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.17 -35.32 68.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -56.84 -30.47 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.524 ' CE1' HG21 ' A' ' 37' ' ' ILE . 29.5 m-85 -57.45 -23.12 47.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -49.2 -31.47 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -51.57 -39.97 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -127.29 26.07 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.66 89.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -62.5 -17.26 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -109.85 81.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 96' ' ' ALA . 11.3 p -131.86 139.17 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.08 151.17 33.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 p -133.88 145.96 50.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.92 107.49 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.663 ' C ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -119.11 144.53 46.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' HG13 ' A' ' 65' ' ' VAL . . . -108.35 144.87 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.5 mmt -94.12 129.47 40.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.668 ' CE2' HG11 ' A' ' 68' ' ' VAL . 2.6 t80 -123.33 106.33 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -94.6 98.17 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.012 HD12 HD11 ' A' ' 33' ' ' LEU . 11.6 tt -105.48 129.09 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.24 116.68 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttp -75.83 167.66 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 120.29 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.67 53.44 38.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.7 m -149.45 175.48 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -92.42 160.73 34.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.0 m -83.21 116.92 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 106.87 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.576 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.2 mt -111.68 113.87 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.41 117.21 28.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 29' ' ' SER . 20.9 t -128.61 131.22 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' H ' ' A' ' 25' ' ' ARG . 16.8 m -57.92 147.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.618 ' HB2' HG11 ' A' ' 65' ' ' VAL . 2.3 ttp -56.28 -26.97 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.53 ' H ' HG23 ' A' ' 22' ' ' VAL . 9.5 tpp85 -113.82 12.31 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -68.05 -56.37 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 92' ' ' ILE . 15.3 tp -56.91 -45.03 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.29 -49.14 78.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.406 ' HB3' HG11 ' A' ' 21' ' ' VAL . 47.4 p -54.68 -46.06 74.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.84 -42.64 97.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -56.73 -50.19 72.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -70.96 -39.84 72.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.012 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -54.08 -41.47 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -67.07 -20.79 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.32 -29.82 26.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.1 -32.05 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.462 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.1 tp -60.92 -23.72 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -52.19 -29.86 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.65 163.01 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.1 46.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -85.03 -23.9 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.65 -28.44 69.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 36' ' ' ILE . 14.5 p -90.91 -22.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.9 mtp -52.91 -52.04 59.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 49' ' ' ILE . 14.5 ptm -53.97 -46.79 71.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -58.67 -40.93 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HD12 ' A' ' 33' ' ' LEU . 58.6 t80 -66.75 -49.51 65.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 mt -54.99 -46.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -74.89 -27.27 60.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.79 -48.02 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.28 -54.59 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -78.71 111.51 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.777 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -76.32 142.35 41.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.663 HG12 ' C ' ' A' ' 4' ' ' CYS . 10.0 p -117.17 -16.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.35 159.9 23.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.777 ' CE2' HG21 ' A' ' 64' ' ' THR . 20.4 m-85 -127.3 132.79 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 7' ' ' TYR . 76.2 t -131.17 133.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.38 115.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.49 112.58 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -129.33 110.06 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.34 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -93.52 -13.6 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.636 ' O ' HD23 ' A' ' 76' ' ' LEU . 16.2 ttpt 63.51 57.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 75' ' ' LYS . 13.9 mt -140.88 118.8 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -127.35 98.44 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 151.36 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 108' ' ' THR . 17.7 m -146.31 128.26 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -147.22 96.72 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 7.6 p90 -120.66 172.6 7.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 t -51.29 144.6 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -62.28 104.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.606 HD12 ' CB ' ' A' ' 88' ' ' MET . 26.0 pt -100.86 -178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.08 165.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -75.06 -40.03 60.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.03 -53.08 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.606 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.6 mtp -57.42 -32.12 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -63.09 -25.75 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -69.75 -55.48 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.16 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.665 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 70.9 mt -67.43 -43.82 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.068 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -65.54 -41.33 93.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.14 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.5 m -61.13 -41.95 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.69 82.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.16 -34.16 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -62.72 -31.75 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' HG21 ' A' ' 37' ' ' ILE . 2.9 m-85 -56.05 -21.79 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.69 -28.59 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -51.34 -30.8 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -127.69 0.39 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.62 78.73 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -51.14 -30.11 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -72.35 79.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.17 134.63 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -142.09 136.72 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.6 p -132.29 148.72 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.0 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 63' ' ' LYS . 11.9 tp -121.02 140.48 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -145.98 161.82 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.662 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -118.42 145.34 45.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.8 mmt -93.96 123.17 37.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -113.03 110.3 20.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.51 118.87 34.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.053 HD12 HD21 ' A' ' 33' ' ' LEU . 10.8 tt -129.62 127.22 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -134.02 94.86 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 ttp -64.23 165.59 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.07 51.59 49.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -135.71 8.15 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 62.38 160.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 85.1 m -115.16 118.13 32.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -86.96 106.76 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mt -108.15 114.52 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -88.04 123.89 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 26' ' ' PHE . 21.3 t -122.07 147.95 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.99 155.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -15.56 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -110.61 2.24 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -118.68 -16.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' HG11 ' A' ' 21' ' ' VAL . 2.9 p90 -48.98 -34.04 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -55.03 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.53 -41.75 77.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -61.58 -48.81 79.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' HZ ' HG11 ' A' ' 79' ' ' VAL . 1.4 t80 -59.75 -42.53 93.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 t -60.42 -49.93 75.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.66 -29.82 69.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -66.18 -46.31 77.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 16.2 t80 -57.53 -21.54 38.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -60.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.6 tt -55.12 -35.97 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.3 tp -53.67 -28.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -71.71 -35.25 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -83.48 -176.45 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -131.27 29.54 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.23 108.84 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -84.93 -55.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.3 -25.01 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.51 -20.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.419 ' HG2' HD11 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.9 -51.98 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.416 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.08 -40.35 73.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -61.46 -42.57 98.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -66.48 -48.67 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.4 mt -56.15 -47.07 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 t -73.84 -27.23 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -65.57 -47.92 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -87.98 -55.78 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.86 152.23 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 3' ' ' LEU . 39.6 tttm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.742 HG21 ' CE1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -83.56 139.06 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.662 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 7.7 p -109.9 -5.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.18 156.34 8.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 64' ' ' THR . 18.5 m-85 -123.24 120.38 32.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.022 HG13 HG12 ' A' ' 79' ' ' VAL . 88.7 t -100.68 136.26 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.68 115.09 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG11 HD13 ' A' ' 37' ' ' ILE . 93.6 t -125.27 109.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -115.82 111.78 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.71 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.78 -51.19 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -98.68 -5.06 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 59.63 44.06 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.799 HD23 ' HG3' ' A' ' 105' ' ' LYS . 6.4 mt -103.26 134.59 46.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.459 ' CB ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -122.54 112.51 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -142.11 103.8 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 1.022 HG12 HG13 ' A' ' 68' ' ' VAL . 13.5 m -111.04 137.41 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.4 p -119.03 96.88 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.11 137.64 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -81.08 -173.45 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -52.7 107.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.78 179.73 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -70.49 151.53 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.44 -42.95 95.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -63.9 -49.21 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.38 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -56.64 -37.53 70.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -62.31 -52.97 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.59 -56.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt -57.3 -38.03 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.33 -35.87 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -49.69 31.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -60.76 -38.93 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.53 61.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.49 -32.0 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -54.33 -26.73 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -55.91 -23.19 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -48.62 -31.78 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -127.16 26.27 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.0 82.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -56.59 -21.64 28.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -95.92 70.2 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 77' ' ' MET . 13.7 p -120.64 135.08 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -146.0 147.2 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 79' ' ' VAL . 16.9 p -140.26 142.56 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.462 HD13 ' SD ' ' A' ' 23' ' ' MET . 19.8 mt -100.41 110.2 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 17.7 p -109.59 161.55 15.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.23 140.44 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.84 122.64 42.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -119.69 106.38 12.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -95.66 101.6 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.113 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -109.75 129.92 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.19 90.41 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.87 102.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.61 50.53 60.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -125.93 14.32 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.44 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.77 23.98 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.8 m -119.63 115.02 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.94 106.88 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -110.73 114.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -89.52 115.34 26.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG12 ' HB3' ' A' ' 25' ' ' ARG . 41.6 t -121.96 137.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.84 148.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.677 ' HG3' HG11 ' A' ' 65' ' ' VAL . 7.3 ttp -52.95 -52.84 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.8 -25.88 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' HG12 ' A' ' 21' ' ' VAL . 19.1 tpp180 -91.64 7.57 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.15 -55.85 21.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' HG3' ' A' ' 88' ' ' MET . 19.4 tp -55.74 -38.92 70.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.41 -50.41 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -48.93 76.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -57.81 -50.73 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.89 -30.5 69.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.15 -45.46 88.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' C ' HG22 ' A' ' 37' ' ' ILE . 23.7 t80 -58.57 -21.54 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.47 -61.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -38.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.5 tp -55.44 -29.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -95.69 31.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.23 150.93 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -87.94 54.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.58 87.21 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.5 p -84.99 -50.96 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.11 -23.32 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.37 -15.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -52.9 -52.06 59.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -55.65 -45.93 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.5 -36.06 82.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.2 mt -71.41 -38.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 t -76.62 -25.2 53.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -79.35 -48.06 14.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.12 -50.12 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -91.69 170.19 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.822 0.344 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 102.14 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' HG3' ' A' ' 23' ' ' MET . 10.1 p -77.2 -15.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.6 158.03 17.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -131.74 146.26 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 HG12 ' A' ' 79' ' ' VAL . 68.8 t -131.1 121.66 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -97.17 115.45 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.58 115.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -130.01 118.33 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.81 -55.05 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.13 -51.15 70.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -74.53 -20.45 59.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 76' ' ' LEU . 50.6 mmtt 61.37 60.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 75' ' ' LYS . 10.8 mt -131.97 128.17 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.963 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.23 116.96 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -141.45 127.18 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.621 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.2 m -120.84 122.04 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -136.67 96.93 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.73 ' CE2' HD13 ' A' ' 84' ' ' ILE . 24.5 p90 -141.04 152.71 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -123.19 -175.54 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.71 60.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.73 HD13 ' CE2' ' A' ' 81' ' ' PHE . 6.9 pt -143.86 177.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.93 161.79 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.94 -41.08 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -65.48 -26.35 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.613 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -70.83 -27.89 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -60.8 -25.7 66.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -65.26 -55.73 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.77 -36.09 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' HZ ' ' A' ' 81' ' ' PHE . 31.7 mt -67.75 -47.7 78.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -64.52 -43.46 93.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.15 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -63.22 -37.55 87.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.65 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -74.79 -36.89 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -53.91 -28.57 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.68 -23.54 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.656 ' HG2' HG21 ' A' ' 106' ' ' VAL . 2.6 mmmm -50.63 -30.99 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -52.94 -38.5 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 26.0 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -175.38 80.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -51.57 -30.36 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -75.04 85.04 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 100' ' ' LYS . 95.7 t -122.38 139.56 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -146.54 135.46 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.621 HG22 ' CG2' ' A' ' 79' ' ' VAL . 70.5 p -134.3 120.54 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.875 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.562 HD22 ' CG1' ' A' ' 65' ' ' VAL . 54.6 mt -120.74 107.7 13.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.707 ' O ' HG22 ' A' ' 65' ' ' VAL . 22.5 m -124.48 154.95 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 mmt -97.09 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.14 106.51 17.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.77 111.77 23.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.979 HD12 HD11 ' A' ' 33' ' ' LEU . 10.5 tt -120.73 130.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.05 87.53 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ttp -83.76 135.32 34.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 51.62 42.12 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.61 43.58 59.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 m -94.77 38.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.2 m80 64.48 153.65 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 98.15 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.3 m -76.93 114.5 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.94 106.87 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.3 mt -111.6 101.88 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -80.43 113.8 18.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.93 138.04 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 25' ' ' ARG . 19.4 m -63.37 141.81 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.619 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.04 -28.4 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.63 -25.43 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' H ' HG23 ' A' ' 22' ' ' VAL . 18.9 mmt85 -121.93 14.74 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HG21 ' A' ' 68' ' ' VAL . 10.9 t80 -63.34 -56.58 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 92' ' ' ILE . 8.6 tp -55.95 -43.18 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.83 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -58.13 -44.49 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -62.28 -42.93 99.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -50.54 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -66.96 -43.14 83.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.979 HD11 HD12 ' A' ' 9' ' ' ILE . 1.8 tp -53.93 -42.53 68.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -66.43 -20.73 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -29.81 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 tt -91.17 -32.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -60.84 -26.5 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -56.38 -28.0 57.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.95 179.63 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.06 36.68 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.17 99.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -85.01 -29.05 25.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.47 -44.65 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.36 -21.05 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 mtp -52.85 -52.15 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 ttp -57.06 -57.9 10.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -53.54 -34.69 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -67.84 -47.58 68.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.1 mt -60.87 -40.99 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -77.13 -27.47 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -68.94 -48.12 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -86.26 -51.55 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -88.3 162.83 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 tttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -92.67 102.01 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 4' ' ' CYS . 12.7 m -64.44 -18.92 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -164.28 28.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -150.02 160.49 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.397 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 ' CG1' ' A' ' 79' ' ' VAL . 95.0 t -131.23 120.33 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.42 128.15 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.699 HG13 ' HE1' ' A' ' 77' ' ' MET . 90.9 t -143.94 109.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.31 112.71 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.8 -47.85 43.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.91 -48.06 69.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -74.53 -19.41 60.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.711 ' O ' HD23 ' A' ' 76' ' ' LEU . 49.3 mttm 63.55 56.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 75' ' ' LYS . 14.1 mt -134.42 123.04 23.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 70' ' ' VAL . 59.7 mmm -129.79 113.81 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.5 153.08 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.556 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.68 122.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.2 t -140.77 105.82 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 18.8 p90 -139.64 169.2 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.7 t -50.18 140.18 13.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.68 90.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.692 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.8 pt -83.31 -175.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -50.54 153.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -71.7 -41.5 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -51.38 -36.07 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 84' ' ' ILE . 3.1 ttm -77.05 -35.2 56.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.38 -25.42 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -64.91 -55.59 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.96 -33.17 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.795 HG12 HD13 ' A' ' 27' ' ' LEU . 97.2 mt -70.38 -45.33 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.77 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.1 m -62.46 -42.43 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.56 66.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.11 -35.83 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -54.95 -29.88 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -57.25 -23.51 48.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -50.58 -30.76 13.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -51.91 -36.13 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -127.21 26.13 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.36 79.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -50.84 -31.06 16.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.5 tmtm? -75.97 79.47 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.64 137.3 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -145.16 109.98 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.5 p -110.66 122.75 48.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.804 HD22 HG22 ' A' ' 65' ' ' VAL . 27.8 mt -82.54 109.52 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.79 163.06 33.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 66' ' ' GLY . . . -119.43 157.99 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.91 136.35 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.432 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -126.82 106.28 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.28 91.04 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 HD21 ' A' ' 33' ' ' LEU . 12.0 tt -97.62 130.34 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 110.94 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 154.75 40.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -52.02 106.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.98 45.2 7.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -153.67 141.08 19.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -51.6 157.03 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 140.36 42.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -118.11 119.43 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 106.85 18.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' ALA . 13.0 mt -107.65 119.89 58.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -91.68 118.15 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 29' ' ' SER . 16.9 t -126.77 125.57 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.98 145.28 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.503 ' HB3' HG21 ' A' ' 65' ' ' VAL . 2.3 ptt? -58.53 -22.24 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.43 -20.82 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.12 19.04 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -63.34 -56.3 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 92' ' ' ILE . 7.8 tp -55.67 -51.13 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.23 -43.82 83.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.603 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.9 t -56.54 -50.6 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 8.4 t80 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -56.29 -48.57 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.46 -29.84 64.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -60.45 -49.97 75.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.598 ' O ' HG22 ' A' ' 37' ' ' ILE . 34.1 t80 -55.38 -21.3 14.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -50.66 6.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 33' ' ' LEU . 18.1 tt -71.05 -9.28 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.0 tp -81.74 9.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -116.29 81.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 69.73 81.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -133.25 79.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -46.17 155.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -54.26 -25.89 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -53.97 -46.44 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.22 -25.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.83 -50.66 63.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -50.98 -45.48 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.27 -43.61 88.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.73 -48.33 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 81.0 mt -54.74 -46.7 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -76.27 -24.35 54.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.17 -47.94 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -89.37 -52.44 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -84.03 133.47 34.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.829 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.42 125.56 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.804 HG22 HD22 ' A' ' 3' ' ' LEU . 29.2 t -103.58 -15.3 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HB1' ' A' ' 5' ' ' ALA . . . 175.73 159.53 21.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -131.83 137.15 47.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 HG12 ' A' ' 79' ' ' VAL . 94.2 t -130.69 113.65 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -96.41 115.88 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -123.96 112.18 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -125.53 108.49 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -73.83 -29.13 61.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -52.29 60.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.24 -6.02 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' O ' HD23 ' A' ' 76' ' ' LEU . 74.0 mttt 58.97 60.93 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 75' ' ' LYS . 19.5 mt -130.38 125.47 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.553 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 tmm? -121.55 116.17 24.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -131.65 127.89 37.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.703 HG12 HG13 ' A' ' 68' ' ' VAL . 21.0 m -129.75 123.74 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -143.32 98.21 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 11.7 p90 -123.65 170.82 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 84' ' ' ILE . 2.9 t -50.65 133.21 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.86 107.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 82' ' ' SER . 30.4 pt -102.76 -175.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -51.38 139.67 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -39.64 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -52.17 -37.07 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.3 tpp -77.16 -27.86 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -56.76 -35.76 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -60.09 -55.14 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.26 -52.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 27' ' ' LEU . 67.8 mt -55.99 -45.35 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.23 -42.45 95.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.11 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 96.2 m -57.57 -52.89 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -64.51 -27.85 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -72.4 -36.98 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.58 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -57.24 -23.8 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 106' ' ' VAL . 37.2 mttt -56.43 -24.86 48.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.04 -23.7 55.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.11 26.5 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.4 -35.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.38 24.63 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.949 0.404 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -144.21 92.74 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.526 HG13 ' CE ' ' A' ' 77' ' ' MET . 85.6 t -125.76 139.75 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.43 109.89 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.652 HG22 ' CG2' ' A' ' 79' ' ' VAL . 26.3 p -104.52 144.93 31.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.91 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 m -95.8 137.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.08 107.54 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m -104.96 155.83 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.671 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.92 151.64 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mmt -107.39 107.89 18.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.3 106.47 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -92.28 121.89 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.081 HD12 HD21 ' A' ' 33' ' ' LEU . 11.8 tt -132.54 130.03 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t -134.17 89.38 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.36 173.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.11 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.77 53.79 42.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -130.97 15.44 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.52 160.66 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 135.04 29.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.5 m -122.66 114.15 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -85.12 106.9 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.4 mt -107.08 109.77 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -84.37 119.05 24.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' OG ' ' A' ' 29' ' ' SER . 43.7 t -135.29 132.55 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.3 t -56.52 149.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' HG21 ' A' ' 65' ' ' VAL . 8.8 ptt? -52.86 -33.39 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -68.03 -32.63 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -98.42 12.67 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.14 -55.53 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 ' CG1' ' A' ' 92' ' ' ILE . 21.3 tp -55.71 -45.74 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.72 -50.2 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.571 ' OG ' HG11 ' A' ' 21' ' ' VAL . 18.7 m -53.81 -46.76 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.3 -42.29 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -57.91 -44.5 86.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.59 -30.26 61.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.081 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -64.08 -45.03 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -59.21 -21.7 59.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.75 -60.07 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -57.96 -38.55 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.97 -24.9 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -95.92 29.25 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.28 176.53 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -123.81 36.48 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 44' ' ' VAL . 2.7 m-20 -108.3 104.28 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -85.17 -16.25 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.68 -46.48 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 41' ' ' ASP . 10.1 p -60.23 -19.8 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.6 mtp -52.89 -51.17 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 tpp -52.91 -53.19 52.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.08 -31.7 65.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -74.39 -48.79 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 4.1 mt -65.33 -31.97 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.7 m -79.05 -50.41 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -83.9 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -93.24 124.35 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -87.64 -52.72 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p 50.1 42.52 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.32 -35.87 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -147.32 113.89 6.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 58' ' ' ILE . 1.2 pp -115.1 152.43 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.23 160.61 67.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.683 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -40.04 5.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -52.04 -32.11 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.95 117.88 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.23 170.28 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -101.2 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.671 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.7 p -74.96 -23.3 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.17 171.52 26.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.74 151.02 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG13 HG12 ' A' ' 79' ' ' VAL . 66.7 t -131.08 115.78 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -90.32 120.72 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.85 116.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -131.34 119.66 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.67 33.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.08 -52.71 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -93.01 -11.85 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 63.58 56.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' HG2' ' A' ' 105' ' ' LYS . 7.5 mt -116.74 138.93 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.3 tmm? -134.47 122.52 22.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 m -141.33 130.77 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.3 m -126.78 122.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.42 97.01 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 84' ' ' ILE . 13.9 p90 -149.74 151.23 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -125.19 -169.97 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.5 50.79 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 81' ' ' PHE . 7.4 pt -139.94 154.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.08 156.55 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.18 -39.72 65.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.83 -27.59 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.418 ' O ' HD12 ' A' ' 92' ' ' ILE . 4.0 ttm -63.61 -30.78 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -57.01 -35.52 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -58.99 -53.63 56.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.04 -55.05 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 9.6 mt -52.51 -50.09 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -58.18 -47.28 83.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.12 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.5 m -59.27 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.694 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -61.43 -28.54 69.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.03 -38.83 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.13 -28.54 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.5 m-85 -57.57 -23.63 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -50.88 -30.72 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -54.96 -36.62 65.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -127.06 25.88 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.82 84.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -51.62 -30.37 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' HD22 ' A' ' 76' ' ' LEU . 12.9 tppt? -64.18 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.74 125.65 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -136.79 138.02 40.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.2 p -134.02 144.54 48.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -83.53 118.88 24.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.7 ttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -90.85 148.33 22.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.89 137.98 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.8 p -135.73 148.72 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.631 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.35 160.34 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.4 mmt -113.31 130.47 56.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -115.87 106.3 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -93.75 102.52 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.048 HD12 HD21 ' A' ' 33' ' ' LEU . 11.6 tt -107.44 128.91 62.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -134.02 108.83 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.21 149.76 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 111.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.35 44.37 8.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 m -160.45 140.5 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -51.7 157.01 2.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 153.66 68.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -128.02 118.63 23.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.15 106.79 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.56 110.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.05 130.63 35.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' HB3' ' A' ' 25' ' ' ARG . 21.1 t -137.97 142.9 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.3 151.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.703 ' CG ' HG21 ' A' ' 65' ' ' VAL . 9.7 tmm? -52.92 -51.24 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.51 -26.11 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HB3' HG12 ' A' ' 21' ' ' VAL . 16.5 tpp180 -90.9 4.37 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -62.26 -54.53 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.672 HD22 ' HG2' ' A' ' 88' ' ' MET . 23.3 tp -55.85 -45.26 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.41 -49.78 76.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -55.91 -49.28 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -60.67 -42.26 96.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t -57.73 -50.51 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -29.95 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.048 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.78 -44.96 88.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' C ' HG22 ' A' ' 37' ' ' ILE . 46.9 t80 -58.82 -21.6 56.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.76 -59.31 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.9 tt -57.31 -35.52 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.473 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.2 tp -62.93 -28.92 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.07 -26.05 64.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.17 -174.75 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -126.74 30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.97 106.55 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -30.68 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.32 -23.9 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.19 -20.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mmm -52.99 -51.99 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptm -52.17 -47.2 65.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -58.59 -41.78 86.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.32 -47.2 74.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 43.9 mt -56.41 -47.94 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.5 m -73.92 -27.05 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.25 -48.06 74.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -88.16 -55.69 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.97 104.14 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -120.14 132.91 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -109.48 82.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.53 -65.31 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -139.67 105.84 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.44 122.47 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 160.55 25.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -22.21 32.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.41 -26.63 68.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -52.21 135.92 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -128.3 149.97 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.07 141.96 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.703 HG21 ' CG ' ' A' ' 23' ' ' MET . 10.5 p -116.09 -24.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.97 169.45 29.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -137.13 152.22 49.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.944 HG13 HG12 ' A' ' 79' ' ' VAL . 69.6 t -130.5 113.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.71 119.52 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.08 109.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -124.83 94.18 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.75 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.74 -52.83 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -98.76 9.63 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 51.74 48.04 23.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.0 124.14 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -127.82 120.1 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -141.47 134.88 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.944 HG12 HG13 ' A' ' 68' ' ' VAL . 33.0 m -130.06 132.26 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.7 m -144.47 103.32 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.659 ' CE2' HG21 ' A' ' 84' ' ' ILE . 19.2 p90 -150.34 148.84 29.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -122.69 -170.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.639 ' OD2' HG23 ' A' ' 65' ' ' VAL . 2.3 m-20 63.34 54.04 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.659 HG21 ' CE2' ' A' ' 81' ' ' PHE . 41.5 pt -136.77 -175.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -97.37 153.12 18.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.08 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.672 ' HG2' HD22 ' A' ' 27' ' ' LEU . 5.0 ttp -56.94 -27.96 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -59.22 -25.97 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -68.47 -55.38 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 27' ' ' LEU . 6.4 p -65.68 -34.82 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.605 HG12 HD13 ' A' ' 27' ' ' LEU . 26.8 mt -70.29 -45.67 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -66.24 -37.56 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.97 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.5 m -63.92 -37.26 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.62 -30.82 59.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.75 -35.82 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -27.64 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.473 ' CE2' HG21 ' A' ' 37' ' ' ILE . 15.2 m-85 -57.44 -23.6 50.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -50.67 -31.07 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.13 -37.41 54.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -127.04 25.98 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 79.85 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.54 -30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -72.56 79.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.6 p -119.39 136.15 57.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 20.5 p -140.29 134.04 30.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -116.61 171.08 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.0 ptp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m -101.24 122.26 43.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -99.23 117.21 33.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 p -120.48 149.07 42.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -121.03 153.32 37.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.9 mmt -106.38 124.1 49.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -109.34 106.91 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.92 115.52 28.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.058 HD12 HD21 ' A' ' 33' ' ' LEU . 10.1 tt -126.52 125.26 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -131.17 137.37 48.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 25.0 ttp -101.28 162.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 117.66 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.76 51.67 28.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -160.98 146.06 14.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -64.78 160.96 49.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.72 40.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 9' ' ' ILE . 88.4 m -111.14 115.26 29.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.31 106.9 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.87 104.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.03 130.91 36.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 25' ' ' ARG . 15.7 t -143.8 153.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 t -56.71 154.2 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -53.1 -44.87 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.99 -50.36 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HB2' HG12 ' A' ' 21' ' ' VAL . 47.4 mtp85 -58.08 -21.45 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 2.9 t80 -51.62 -49.76 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HG12 ' A' ' 92' ' ' ILE . 12.5 tp -55.69 -51.6 66.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -56.17 -47.13 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -49.85 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.78 -42.6 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -57.29 -47.6 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -72.8 -30.12 63.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.03 -43.11 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -59.41 -21.8 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -57.23 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 33' ' ' LEU . 13.7 tt -60.12 -33.75 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 33' ' ' LEU . 1.3 tp -65.89 -26.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.09 -27.81 35.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.14 -173.49 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -127.35 26.22 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.79 115.31 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -24.72 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.39 -26.33 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 36' ' ' ILE . 7.5 p -91.05 -25.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mtp -53.01 -52.09 59.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.1 ptm -57.7 -45.13 86.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.44 -38.72 90.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 67.1 t80 -65.74 -48.62 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 57.5 mt -60.14 -45.68 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -71.54 -28.01 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -68.76 -48.05 64.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -82.92 -59.12 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -66.57 98.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -118.27 29.76 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -139.26 88.89 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -92.08 138.76 31.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.6 mt -114.79 127.93 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 mtt -94.84 160.66 30.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.704 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.03 11.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.7 2.266 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.98 -31.29 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -73.55 138.02 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -129.45 156.9 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -72.3 128.34 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.792 HG21 ' HG3' ' A' ' 23' ' ' MET . 10.6 p -115.42 -22.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.52 164.94 37.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -149.65 142.79 25.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.004 HG13 HG12 ' A' ' 79' ' ' VAL . 99.5 t -131.03 124.89 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.58 115.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 HG12 ' A' ' 68' ' ' VAL . 85.2 t -127.13 110.78 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -120.61 117.39 27.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -79.99 -38.35 32.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.88 -49.56 62.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.47 -8.95 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 62.98 46.07 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 105' ' ' LYS . 4.0 mt -103.41 134.01 47.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.52 115.4 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 m -141.81 103.85 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.004 HG12 HG13 ' A' ' 68' ' ' VAL . 34.1 m -107.03 130.54 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.9 m -150.15 106.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 16.0 p90 -129.8 175.25 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 t -51.16 139.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 91.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 92' ' ' ILE . 28.6 pt -87.81 -175.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.2 154.5 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -73.47 -36.67 65.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.67 -44.33 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.0 tpt -77.05 -27.73 54.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -56.72 -37.7 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.89 -49.23 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.09 -52.95 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 51.4 mt -57.49 -46.49 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.5 -40.59 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.14 72.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -60.75 -50.63 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -63.28 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.91 -33.98 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -59.1 -30.27 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 37' ' ' ILE . 17.5 m-85 -56.98 -23.57 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -50.0 -31.59 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -52.02 -35.19 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -127.06 26.04 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.71 81.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.51 -30.03 18.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.776 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.99 70.51 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 96' ' ' ALA . 7.3 p -117.71 126.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.97 151.31 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 79' ' ' VAL . 18.4 p -138.17 151.0 47.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -101.56 101.97 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.8 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.883 0.373 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m -86.89 142.3 28.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.6 mt -110.22 108.96 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.3 m -114.53 135.64 53.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.549 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -106.14 147.01 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mmt -108.17 121.96 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.81 106.35 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -95.85 103.02 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.893 HD12 HD21 ' A' ' 33' ' ' LEU . 12.1 tt -111.67 128.12 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -134.13 123.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.77 145.04 28.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 109.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 32.35 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t -154.76 151.06 28.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -62.43 160.63 31.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.5 40.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.7 m -112.33 114.59 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 m -85.09 106.79 16.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 53' ' ' ALA . 15.1 mt -108.65 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -87.21 116.4 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.5 t -131.78 128.57 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.17 151.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.549 ' CG ' HG21 ' A' ' 65' ' ' VAL . 2.1 tpt -55.91 -26.45 47.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.36 -25.65 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.7 9.47 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 68' ' ' VAL . 15.2 t80 -66.16 -56.63 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 92' ' ' ILE . 10.9 tp -56.46 -47.86 78.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.28 -48.02 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.5 t -55.3 -49.02 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -60.3 -42.58 95.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -57.3 -50.37 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.03 -30.0 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.893 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -63.16 -45.29 92.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.28 -21.44 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -56.83 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.472 HD11 HG13 ' A' ' 44' ' ' VAL . 11.2 tt -60.56 -38.0 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.3 tp -59.25 -27.84 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -103.8 29.55 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -121.78 -5.79 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 51.75 30.33 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -103.53 94.23 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -85.12 -16.32 40.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.82 -27.71 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 36' ' ' ILE . 14.8 p -91.14 -16.21 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmm -52.89 -50.47 63.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptp -51.84 -47.11 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.11 -37.15 86.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' HD23 ' A' ' 33' ' ' LEU . 62.8 t80 -65.78 -43.54 88.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.6 mt -68.11 -41.59 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.2 m -73.44 -26.37 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -75.95 -48.0 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.87 -56.12 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -76.41 131.1 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -133.18 103.21 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -88.68 75.1 8.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.53 -66.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -145.41 120.69 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -114.84 127.39 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -104.13 160.65 25.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.546 0.689 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -39.97 5.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -53.56 -28.41 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.02 110.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.3 143.4 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -68.53 152.14 45.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.5 p -115.4 -26.59 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 154.76 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.759 ' CZ ' HG21 ' A' ' 64' ' ' THR . 19.4 m-85 -118.72 138.43 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.049 HG13 HG12 ' A' ' 79' ' ' VAL . 87.2 t -131.12 116.18 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.76 132.28 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -143.48 109.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.4 112.93 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.52 62.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -97.62 -9.42 26.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 63.59 53.15 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.429 HD22 ' HG3' ' A' ' 105' ' ' LYS . 7.9 mt -127.64 136.34 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.33 131.64 36.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.62 106.78 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.049 HG12 HG13 ' A' ' 68' ' ' VAL . 33.5 m -104.12 131.47 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 t -150.16 104.18 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 92' ' ' ILE . 18.1 p90 -131.37 175.15 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -51.11 146.38 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.26 86.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.0 pt -83.93 -174.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.86 153.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.16 -41.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -51.61 -41.7 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -77.08 -34.5 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -56.9 -47.18 81.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.15 -41.4 71.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.82 -55.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.602 ' CG1' HD13 ' A' ' 27' ' ' LEU . 5.2 mt -57.67 -40.55 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.9 -40.16 91.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.2 71.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 m -62.38 -46.92 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.31 72.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.94 -34.26 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -28.43 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 37' ' ' ILE . 13.8 m-85 -55.82 -21.48 19.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -47.18 -30.13 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -50.82 -37.32 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -128.14 25.2 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -174.61 79.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -51.33 -30.07 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HG3' HD22 ' A' ' 76' ' ' LEU . 3.5 tmtt? -77.31 89.26 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' GLY . 92.6 t -126.78 130.72 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -132.15 137.41 47.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.485 HG22 HG22 ' A' ' 79' ' ' VAL . 36.5 p -134.14 135.23 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 118.49 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 20.3 ptm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -98.06 118.44 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.741 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -96.45 108.32 20.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.63 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 p -111.6 164.39 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.26 141.61 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.7 mmt -100.79 117.28 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.96 106.44 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -94.69 103.59 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.845 HD12 HD21 ' A' ' 33' ' ' LEU . 14.9 tt -110.82 127.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.13 95.19 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ttp -51.9 161.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 118.6 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.36 52.93 45.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 p -153.9 141.07 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.828 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -51.74 156.85 2.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 139.69 40.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.9 m -116.81 115.48 25.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -84.77 106.9 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.9 mt -110.14 102.71 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.12 105.94 15.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.25 131.84 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.577 HG13 ' H ' ' A' ' 25' ' ' ARG . 9.4 p -51.92 156.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.425 ' HB2' HG11 ' A' ' 65' ' ' VAL . 3.8 ttt -66.58 -35.7 80.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.01 -25.59 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.577 ' H ' HG13 ' A' ' 22' ' ' VAL . 10.4 mtt180 -121.49 14.6 11.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.41 -56.6 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD11 ' HG3' ' A' ' 88' ' ' MET . 0.9 OUTLIER -55.93 -46.17 78.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.19 -47.53 84.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t -55.65 -49.68 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -60.19 -42.47 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.9 m -57.1 -50.38 72.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.03 -34.04 77.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -61.97 -43.43 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' O ' HG22 ' A' ' 37' ' ' ILE . 15.9 t80 -58.14 -21.98 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -61.62 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.0 tt -52.88 -33.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.8 tp -57.93 -28.99 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.15 -29.41 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -104.32 150.33 24.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -104.63 50.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.77 115.84 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.04 -26.02 27.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.45 -35.21 75.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.42 -24.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -51.98 59.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 ptm -52.13 -47.07 65.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.04 -37.28 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 69.2 t80 -67.08 -53.44 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 44.0 mt -55.18 -44.23 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -73.36 -29.9 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -64.94 -47.8 76.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -85.33 -57.68 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -72.89 110.96 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -73.0 130.37 40.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -75.67 69.57 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.11 159.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.86 146.58 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.9 mm -106.36 144.01 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.09 160.51 61.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -14.86 36.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -35.99 48.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.06 148.2 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -125.99 154.33 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 118.88 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.741 ' HB ' HD12 ' A' ' 3' ' ' LEU . 7.3 p -116.76 -23.91 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 115.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.63 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 79' ' ' VAL . 73.2 t -131.07 132.2 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.7 122.78 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' SD ' ' A' ' 77' ' ' MET . 49.9 t -135.39 109.94 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -133.26 95.95 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -65.25 -23.04 66.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.5 -52.76 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -98.04 9.55 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt 51.63 43.59 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.37 115.43 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.457 ' SD ' HG13 ' A' ' 70' ' ' VAL . 8.9 mmt -126.28 124.22 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -141.06 152.63 44.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 108' ' ' THR . 0.1 OUTLIER -144.03 127.95 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 105.63 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.66 ' CE2' HG21 ' A' ' 92' ' ' ILE . 11.6 p90 -131.35 170.22 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -51.69 128.6 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.78 106.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 92' ' ' ILE . 31.1 pt -103.61 -175.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.53 147.52 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.12 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -51.78 -46.0 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.454 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -76.92 -27.95 55.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -56.8 -41.84 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.33 -55.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 84' ' ' ILE . 83.1 mt -57.57 -55.37 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -54.75 -34.76 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.68 58.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 m -60.47 -35.08 75.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.636 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -77.85 -47.55 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 106' ' ' VAL . 21.8 mt-10 -65.82 -24.5 66.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -61.38 -26.48 67.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -55.42 -25.95 38.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.81 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -52.99 -37.39 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -22.15 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.43 50.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -130.35 135.97 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -64.03 108.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 96' ' ' ALA . 9.3 p -112.58 129.28 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -135.26 109.91 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 79' ' ' VAL . 27.0 p -101.18 153.65 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.46 111.16 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -106.47 148.04 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.6 mm? -93.49 107.91 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.49 144.74 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -113.73 150.03 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.88 113.48 25.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.62 106.27 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -92.53 106.84 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -118.41 131.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.2 104.87 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ttt -51.86 169.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.21 102.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.07 58.35 14.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -126.96 -79.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 177.22 156.32 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.58 13.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 9' ' ' ILE . 82.2 m -121.72 107.42 12.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.07 106.79 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -105.69 106.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -84.97 126.17 33.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.9 t -139.97 130.05 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 m -58.71 151.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.584 ' HB2' HG11 ' A' ' 65' ' ' VAL . 11.7 ttp -55.08 -33.91 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.25 -24.25 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.2 mtt85 -114.07 19.16 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -56.24 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.615 HD11 HG12 ' A' ' 91' ' ' VAL . 21.1 tp -56.91 -47.15 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.5 t -59.56 -49.86 76.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.62 -42.26 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -58.49 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.2 -33.84 76.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' C ' HG22 ' A' ' 37' ' ' ILE . 35.4 t80 -58.44 -21.96 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.36 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 33' ' ' LEU . 12.8 tt -54.72 -36.75 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.468 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -61.75 -28.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.46 -36.66 74.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -95.64 158.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -102.81 48.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -88.1 107.24 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.8 m -81.19 -51.29 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -55.79 -26.17 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.76 -23.86 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -56.05 -52.12 65.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.42 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.3 tpt -54.72 -56.76 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.21 -36.25 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -68.05 -44.74 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.8 mt -62.21 -41.08 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.5 m -78.44 -26.11 46.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -70.29 -47.92 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -88.5 -49.33 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -93.16 145.09 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.66 -7.2 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.66 51.27 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -165.49 123.17 1.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.08 67.57 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.83 HG22 ' HD3' ' A' ' 60' ' ' PRO . 20.1 mm -115.06 108.84 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 ttm -118.6 71.53 9.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.83 ' HD3' HG22 ' A' ' 58' ' ' ILE . 53.6 Cg_endo -69.78 -35.13 13.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -150.54 19.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.99 168.12 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -138.01 148.69 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.28 131.21 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -105.63 -22.16 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.01 154.61 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.9 137.21 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.02 119.54 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.33 130.68 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -146.8 110.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -131.01 111.45 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.96 55.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.98 -52.83 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -88.31 1.4 54.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 51.78 51.52 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.58 123.08 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.99 122.46 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.81 154.34 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 108' ' ' THR . 0.2 OUTLIER -138.49 133.03 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.36 98.06 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.629 ' HD2' HG21 ' A' ' 84' ' ' ILE . 5.1 m-85 -97.14 134.82 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -126.61 131.54 51.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.49 63.19 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.629 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.4 pt -130.96 178.48 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -97.97 160.21 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.07 -40.77 59.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.74 -51.84 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -27.87 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -56.92 -31.48 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -60.49 -55.12 37.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 HD11 ' A' ' 27' ' ' LEU . 50.6 t -64.15 -50.16 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' CE2' ' A' ' 81' ' ' PHE . 22.8 mt -55.49 -50.04 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -59.06 -49.34 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.05 -48.66 70.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -59.02 -53.89 53.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.26 -26.38 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.02 -42.01 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -29.32 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.6 m-85 -57.3 -23.74 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -51.15 -30.46 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -51.84 -40.55 60.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.04 25.97 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.58 83.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -51.48 -50.85 59.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.57 88.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.72 124.74 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.9 118.08 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 HG21 ' A' ' 79' ' ' VAL . 60.6 p -110.14 116.67 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -65.56 100.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -92.14 111.17 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 65' ' ' VAL . 8.0 mp -74.77 140.21 43.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' VAL . 73.5 m -141.38 165.45 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -125.95 144.78 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.32 140.6 32.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.87 106.38 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -94.75 97.87 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 10.7 tt -103.09 129.34 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -133.48 94.91 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 148.33 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 121.95 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 49.93 12.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 m -160.03 179.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.97 160.74 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.44 17.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 9' ' ' ILE . 95.1 m -110.55 119.3 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 mt -107.55 125.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 p -104.12 125.45 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 29' ' ' SER . 46.9 t -126.72 137.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 25' ' ' ARG . 6.0 m -53.07 156.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.788 ' HG3' HG11 ' A' ' 65' ' ' VAL . 1.6 tmt? -73.22 -11.49 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.34 -17.15 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' H ' HG23 ' A' ' 22' ' ' VAL . 17.3 tpp180 -124.31 9.2 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -54.28 -37.13 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 88' ' ' MET . 10.3 tp -68.18 -52.2 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.95 -43.96 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 21' ' ' VAL . 99.6 p -63.65 -47.77 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.74 -42.77 93.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -61.48 -52.33 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.39 -35.44 75.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -64.3 -44.18 92.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' O ' HG22 ' A' ' 37' ' ' ILE . 13.2 t80 -57.55 -21.91 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -60.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG22 ' HA ' ' A' ' 33' ' ' LEU . 19.2 tt -54.67 -33.04 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.2 tp -56.1 -27.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.26 -25.44 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -95.58 166.05 12.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.97 43.2 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.4 93.4 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -81.02 -28.86 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.41 -33.43 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.78 -16.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.2 mtp -52.91 -50.58 63.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -51.86 -47.12 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -58.48 -38.88 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CE2' HD23 ' A' ' 33' ' ' LEU . 33.9 t80 -65.06 -52.67 54.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 45' ' ' MET . 3.1 mt -60.02 -40.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 m -74.26 -26.2 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -78.41 -48.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -80.01 -54.84 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.48 143.25 32.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -110.99 87.18 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -76.84 62.69 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.29 -169.26 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.29 88.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD11 ' OD1' ' A' ' 62' ' ' ASP . 5.8 tp -94.98 143.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.457 ' H ' HD12 ' A' ' 58' ' ' ILE . 28.2 mtt -89.92 160.58 40.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.689 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -13.29 34.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -25.76 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.674 ' OD1' HD11 ' A' ' 58' ' ' ILE . 3.9 m-20 -51.86 159.92 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -133.76 166.92 21.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -110.09 131.99 54.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.788 HG11 ' HG3' ' A' ' 23' ' ' MET . 35.0 m -111.29 -16.47 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.85 169.19 29.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 69' ' ' VAL . 15.1 t80 -137.11 133.18 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.841 HG13 HG12 ' A' ' 79' ' ' VAL . 86.7 t -111.73 126.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 67' ' ' PHE . 21.8 t -105.55 117.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.0 t -128.01 109.85 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -122.43 99.06 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.71 -28.69 63.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -71.61 -52.69 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -80.81 -11.73 59.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 63.92 52.85 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.32 122.48 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.14 122.78 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -141.5 107.49 5.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.841 HG12 HG13 ' A' ' 68' ' ' VAL . 12.9 m -93.93 137.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 t -126.25 96.77 4.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.434 ' CE2' HD13 ' A' ' 92' ' ' ILE . 8.8 m-85 -103.07 135.41 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -139.44 145.33 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.39 55.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.406 HD11 ' HG2' ' A' ' 89' ' ' LYS . 23.3 pt -128.97 159.87 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.34 154.01 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.91 -29.91 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.1 -47.26 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.417 ' CG ' HD22 ' A' ' 27' ' ' LEU . 2.0 tpp -57.7 -28.05 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HG2' HD11 ' A' ' 84' ' ' ILE . 13.8 mtpp -56.92 -37.4 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.9 -55.1 38.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.69 -56.03 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 ' CE2' ' A' ' 81' ' ' PHE . 54.2 mt -53.66 -47.72 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -58.02 -41.79 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.02 94.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -62.78 -43.32 99.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.16 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.47 -31.52 62.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -61.09 -26.72 67.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.9 m-85 -56.51 -23.21 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HG2' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -49.77 -29.8 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -50.69 -44.12 57.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -127.27 26.26 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.38 88.51 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -60.5 -25.09 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -102.35 95.18 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.67 HG11 ' HG2' ' A' ' 100' ' ' LYS . 7.4 p -133.4 145.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -151.02 149.95 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 19.1 p -141.87 127.27 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.02 136.21 55.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.7 mtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.434 ' C ' HD22 ' A' ' 3' ' ' LEU . 1.7 m -111.57 133.41 53.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.682 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -116.91 143.78 45.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' C ' HG12 ' A' ' 65' ' ' VAL . 13.8 p -145.77 147.77 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.72 141.33 35.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 mmt -94.01 108.86 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' A' ' 70' ' ' VAL . 1.6 t80 -98.04 106.4 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -94.33 107.5 19.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.034 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -113.86 129.03 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.14 93.38 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 154.09 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 108.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 45.01 6.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -152.99 153.64 33.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -66.6 160.85 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 121.69 8.38 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' ' 9' ' ' ILE . 86.9 m -101.26 112.93 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.22 106.71 14.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.433 HG12 HG23 ' A' ' 49' ' ' ILE . 21.8 mt -106.48 108.19 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.84 125.04 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' A' ' 25' ' ' ARG . 20.4 t -124.92 151.05 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.21 154.34 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.445 ' SD ' HG11 ' A' ' 65' ' ' VAL . 6.9 tpt -61.43 -17.99 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.95 4.73 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 tpp180 -119.98 -12.31 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.6 -37.53 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.73 -53.59 38.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.88 -43.17 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.93 -42.49 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -59.28 -50.66 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.59 -30.18 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -64.92 -45.96 83.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' C ' HG22 ' A' ' 37' ' ' ILE . 21.2 t80 -58.09 -21.42 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.65 -61.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -56.36 -39.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.502 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.3 tp -52.61 -29.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.27 -25.96 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -107.29 -173.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -125.28 26.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.8 102.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.03 -28.98 25.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -71.8 -25.02 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -88.22 -19.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 mtp -52.97 -51.97 59.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 ptm -51.83 -47.76 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -38.1 82.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.02 -53.77 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 6.2 mt -54.98 -43.57 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -74.5 -28.51 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -65.8 -47.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -87.09 -56.09 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -77.59 145.93 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -91.85 128.5 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -75.89 69.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -163.6 147.28 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -94.08 40.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.11 113.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -149.16 71.27 10.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.58 7.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -139.6 26.03 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.18 122.75 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -127.09 155.69 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.08 124.25 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.682 ' HB ' HD12 ' A' ' 3' ' ' LEU . 14.5 p -116.91 -19.0 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.47 166.56 39.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.87 144.2 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG13 ' A' ' 79' ' ' VAL . 51.0 t -131.06 118.14 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.46 115.48 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' HE1' ' A' ' 7' ' ' TYR . 97.8 t -130.01 110.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -132.14 105.38 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.627 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -70.78 -23.75 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -64.67 -52.93 54.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -98.74 6.8 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 53.13 13.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.99 125.15 53.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 122.84 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -141.56 146.14 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.59 128.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.59 112.39 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' HE2' HG21 ' A' ' 92' ' ' ILE . 16.8 m-85 -115.51 155.92 26.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.41 121.34 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.32 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -126.85 148.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.1 156.45 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.01 -60.13 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -33.59 67.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -36.35 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -56.93 -37.25 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.11 -55.07 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.75 -56.13 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 81' ' ' PHE . 65.1 mt -54.45 -48.36 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.23 -39.9 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.02 72.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -60.89 -36.67 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.63 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' HA ' HG11 ' A' ' 106' ' ' VAL . 4.2 tt0 -74.01 -34.31 64.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -26.76 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -56.55 -23.4 39.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.64 -31.42 10.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -52.95 -38.99 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -127.15 26.16 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.43 83.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -51.07 -30.86 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.77 86.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 97' ' ' GLU . 22.0 t -129.47 125.77 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -135.78 109.94 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.32 137.06 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.38 139.61 56.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.6 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.94 121.9 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.789 HD22 HG12 ' A' ' 65' ' ' VAL . 67.4 mt -83.38 107.44 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' HG22 ' A' ' 65' ' ' VAL . 20.1 p -119.56 161.42 20.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.03 140.37 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 132.17 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -134.81 106.4 6.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -94.05 93.64 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.967 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -99.6 130.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.11 146.34 50.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 ttt -114.97 165.67 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 117.97 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.77 37.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -160.08 131.16 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.54 157.21 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.93 15.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -97.75 119.05 35.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.47 106.81 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -107.37 130.63 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 m -105.82 111.69 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.807 HG11 ' HB3' ' A' ' 29' ' ' SER . 21.4 t -118.42 129.26 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG22 ' H ' ' A' ' 24' ' ' ASP . 9.4 p -51.94 146.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.559 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -55.59 -37.94 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 22' ' ' VAL . 26.4 t0 -63.7 -16.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.16 19.27 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -56.56 18.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 HG22 ' A' ' 91' ' ' VAL . 30.9 tp -60.27 -50.92 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.91 -51.0 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.807 ' HB3' HG11 ' A' ' 21' ' ' VAL . 60.6 p -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 6.5 t80 -61.45 -42.13 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -58.76 -47.61 84.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -33.31 74.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.94 -44.12 93.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.91 -21.84 58.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -59.73 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.5 tt -55.76 -34.37 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.587 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.1 tp -67.62 -25.81 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.31 -25.51 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.57 157.08 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.32 52.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.95 102.86 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -32.57 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.98 -25.76 61.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -81.42 -22.81 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.4 mmm -53.19 -52.02 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 tpt -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.09 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.25 -51.0 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 15.4 mt -54.91 -44.55 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t -75.37 -28.52 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -66.7 -48.09 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -86.33 -54.72 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.0 96.21 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.53 133.39 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -80.46 62.02 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -89.11 -21.41 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.48 73.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.25 146.92 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.43 156.95 1.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -9.2 25.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.5 -24.95 61.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -51.79 152.22 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -117.81 149.08 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.733 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -78.75 144.76 34.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.789 HG12 HD22 ' A' ' 3' ' ' LEU . 17.5 m -117.28 -0.83 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.81 158.24 8.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 64' ' ' THR . 27.1 m-85 -129.94 126.98 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 7' ' ' TYR . 98.5 t -115.62 111.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 t -94.3 115.36 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 68' ' ' VAL . 80.6 t -135.82 116.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -135.61 122.91 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -71.53 -35.33 70.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.3 -53.86 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -99.68 13.51 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.5 pttt 39.75 54.84 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' HG2' ' A' ' 105' ' ' LYS . 39.9 mt -112.36 134.81 53.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -133.83 116.19 15.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -139.52 125.61 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 m -115.42 108.96 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -105.93 98.24 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -100.64 135.67 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -73.73 -169.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -51.55 103.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.571 HD11 ' HD3' ' A' ' 89' ' ' LYS . 3.7 pt -129.5 -178.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.2 160.02 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.1 -40.18 60.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.74 -54.08 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.554 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -65.91 -27.75 68.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.571 ' HD3' HD11 ' A' ' 84' ' ' ILE . 3.3 tppp? -58.93 -25.76 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -55.49 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.435 HG22 HD11 ' A' ' 27' ' ' LEU . 5.8 p -63.96 -33.81 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' HG2' ' A' ' 88' ' ' MET . 58.0 mt -69.94 -56.08 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -59.83 -33.28 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.29 47.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.4 m -62.35 -34.26 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.19 56.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.37 -33.98 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -31.03 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 37' ' ' ILE . 21.4 m-85 -56.96 -23.48 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.79 -31.03 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -51.63 -41.04 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 26.2 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -160.51 83.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -51.75 -29.85 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HG2' HD22 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -84.81 91.73 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 103' ' ' GLY . 94.4 t -121.37 122.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -129.55 159.01 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 p -147.31 159.88 43.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.94 117.6 2.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptt? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 m -100.09 122.31 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.05 109.46 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.71 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.0 p -107.22 156.03 19.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -123.77 149.15 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.2 mmt -107.97 110.34 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -104.77 106.3 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -91.1 119.47 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.987 HD12 HD21 ' A' ' 33' ' ' LEU . 12.4 tt -125.51 123.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.09 97.69 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.566 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -54.53 173.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.49 -65.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.85 64.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -160.71 151.57 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -68.3 160.77 73.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.63 30.91 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.727 HG21 HD13 ' A' ' 49' ' ' ILE . 70.7 m -118.27 122.05 41.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.02 106.67 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.0 mt -102.77 104.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -81.2 114.97 20.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 40.0 t -129.85 132.37 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 25' ' ' ARG . 27.5 m -57.17 155.76 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.644 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.7 ptt? -60.71 -22.47 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.75 -26.04 59.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.7 18.35 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.34 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -48.96 79.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -52.96 -51.12 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -57.76 -47.47 82.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' HE2' HG12 ' A' ' 79' ' ' VAL . 1.4 t80 -61.37 -42.23 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -58.91 -51.31 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.28 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.987 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.47 -21.69 64.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.47 -57.68 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -59.85 -37.84 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -59.28 -28.55 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.6 -25.93 64.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.22 -174.75 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.3 29.57 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -77.97 101.12 6.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -26.85 26.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -73.64 -24.67 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -87.0 -19.33 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mmm -52.85 -52.13 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -53.59 -44.07 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.49 -38.02 83.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.97 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.727 HD13 HG21 ' A' ' 17' ' ' THR . 9.5 mt -70.56 -39.85 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 t -74.42 -25.79 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.58 -48.02 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.86 -54.15 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -82.34 132.16 35.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -90.73 135.72 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -87.12 68.92 10.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.02 162.17 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -119.89 39.33 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.3 mm -106.51 111.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.53 66.94 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.65 6.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -132.77 26.21 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.63 117.12 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -106.81 156.02 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -78.92 117.91 20.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 4' ' ' CYS . 11.1 p -97.91 -24.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.41 160.19 21.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.61 143.82 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.28 124.38 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.65 121.29 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.26 110.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -122.16 104.98 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' C ' ' A' ' 11' ' ' MET . . . -67.86 -38.87 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -52.62 -53.05 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -98.98 15.9 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp 38.6 55.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD22 ' HD2' ' A' ' 105' ' ' LYS . 58.8 mt -112.0 137.57 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.409 ' HE1' ' H ' ' A' ' 105' ' ' LYS . 3.8 mpp? -134.69 120.61 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' CG2' HG22 ' A' ' 108' ' ' THR . 33.8 m -115.64 130.83 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.8 m -130.22 96.9 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.743 ' CE2' HD13 ' A' ' 92' ' ' ILE . 7.8 m-85 -100.32 136.28 40.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.7 m -130.75 131.37 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.34 61.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.553 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.0 pt -127.29 175.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 159.83 19.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.96 -40.74 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.35 -52.5 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.505 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -57.15 -28.68 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -57.77 -39.21 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -55.09 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.2 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.743 HD13 ' CE2' ' A' ' 81' ' ' PHE . 59.5 mt -54.95 -38.54 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -65.69 -42.96 90.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.93 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -49.39 77.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.84 -27.95 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -74.26 -40.27 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -54.5 -31.0 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.1 m-85 -56.13 -25.33 45.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -14.31 60.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -85.18 -11.56 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -120.37 -22.06 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.96 -26.31 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 59.02 21.31 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HD2' HD22 ' A' ' 76' ' ' LEU . 2.1 tmtp? -144.13 79.25 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 96' ' ' ALA . 10.3 p -116.84 136.6 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -139.84 118.99 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.569 HG22 ' CG2' ' A' ' 79' ' ' VAL . 19.6 p -107.57 137.28 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -134.53 127.18 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 35.8 mtm . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.533 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -96.85 148.17 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 2' ' ' THR . 4.2 mm? -126.17 118.93 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.98 162.38 17.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -125.94 152.11 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mmt -107.98 122.11 46.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -105.68 145.9 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -131.92 92.81 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.938 HD12 HD11 ' A' ' 33' ' ' LEU . 11.8 tt -102.61 130.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 93.02 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.453 ' SD ' HG23 ' A' ' 42' ' ' THR . 10.2 ttt -52.37 166.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.51 117.29 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.88 53.63 39.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -153.51 140.34 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -52.19 160.67 1.17 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.42 14.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 HG21 ' CD1' ' A' ' 49' ' ' ILE . 96.8 m -105.53 115.79 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 106.82 17.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -108.43 110.13 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.32 130.13 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.03 137.67 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 25' ' ' ARG . 26.8 m -59.89 160.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -13.0 60.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.2 -24.53 32.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.6 ' H ' HG23 ' A' ' 22' ' ' VAL . 4.2 mpt_? -121.38 12.34 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 3.7 t80 -64.84 -55.56 18.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 92' ' ' ILE . 8.9 tp -55.31 -42.83 74.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.06 -50.49 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.01 -44.23 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.05 -42.73 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -57.27 -50.55 72.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.39 -39.59 74.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -53.93 -41.94 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.41 -21.09 66.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -29.75 27.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 tt -91.34 -31.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -59.31 -21.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.81 -24.91 55.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -79.79 179.15 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -115.87 -20.45 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HB2' HG23 ' A' ' 44' ' ' VAL . 1.7 p30 -51.05 103.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.453 HG23 ' SD ' ' A' ' 11' ' ' MET . 1.5 m -85.02 -22.05 29.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.92 -13.8 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 41' ' ' ASP . 47.2 t -88.58 -23.91 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.2 mmm -53.03 -51.9 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptm -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.8 -36.86 83.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.36 -40.45 89.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 10.5 mt -73.45 -37.45 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.1 t -76.47 -25.05 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -82.02 -46.31 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -81.21 -50.58 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -90.54 135.69 33.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 -25.7 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 p 50.31 30.59 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.59 -31.78 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.29 109.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 60' ' ' PRO . 2.9 tt -71.63 148.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 ttp -115.15 70.75 2.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.668 ' HD3' HG23 ' A' ' 58' ' ' ILE . 53.1 Cg_endo -69.82 -32.24 18.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -154.76 21.56 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.61 165.39 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -131.05 178.41 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.8 m -103.04 125.54 49.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.98 -21.84 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.37 -169.4 33.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -149.98 161.06 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 79' ' ' VAL . 85.7 t -131.31 132.44 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.4 t -104.26 125.67 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.3 t -139.41 122.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -138.41 119.45 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.84 -25.43 35.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -67.07 -52.79 37.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.68 4.37 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 51.84 59.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.545 HD23 ' CD ' ' A' ' 105' ' ' LYS . 4.3 mt -117.59 122.17 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -132.37 111.32 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 m -141.58 108.57 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 68' ' ' VAL . 17.2 m -98.76 136.33 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m -141.52 107.17 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -130.9 161.47 31.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -54.93 170.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.0 107.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 81' ' ' PHE . 38.1 pt -90.58 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.32 177.63 8.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.13 -60.09 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.71 -47.18 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.485 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.4 OUTLIER -57.29 -38.72 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -56.81 -40.05 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -60.56 -55.09 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.73 -56.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 27' ' ' LEU . 10.3 mt -53.82 -42.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -41.56 98.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.21 -50.15 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -60.83 -48.94 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.12 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -29.17 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CE1' HG21 ' A' ' 37' ' ' ILE . 3.7 m-85 -57.42 -23.24 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -31.82 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -51.96 -37.97 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -127.31 26.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.52 80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -50.67 -31.13 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' CD ' HD23 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -73.14 77.51 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 p -113.14 138.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.54 147.3 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 32.7 p -146.16 131.41 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.64 108.31 17.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.0 tmm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mtm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 m -89.26 144.9 25.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.7 mt -106.68 107.54 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 55.5 m -107.52 162.49 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -125.69 155.4 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 108.84 18.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.38 106.37 16.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -94.14 121.53 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -129.98 127.32 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 92.45 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.467 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 13.8 ttp -51.92 168.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 107.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.72 49.43 23.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.9 t -146.22 136.93 24.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -51.6 157.01 1.98 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 HG21 ' CD1' ' A' ' 49' ' ' ILE . 90.0 m -80.46 120.61 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 106.86 17.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.8 mt -111.17 103.52 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.58 120.22 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 29' ' ' SER . 26.2 t -130.48 130.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 24' ' ' ASP . 10.8 p -55.53 151.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.803 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -57.35 -33.52 67.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -70.88 -9.47 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HB2' HG12 ' A' ' 21' ' ' VAL . 61.3 mtt180 -118.38 17.32 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -53.63 23.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.608 HD21 ' CG1' ' A' ' 91' ' ' VAL . 0.1 OUTLIER -55.74 -52.25 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.0 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 21' ' ' VAL . 28.6 t -53.38 -56.65 15.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -42.06 97.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -54.01 -44.03 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -80.02 -33.16 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' C ' HG22 ' A' ' 37' ' ' ILE . 18.0 t80 -59.11 -21.74 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.13 -60.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 tt -56.9 -38.15 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.497 HD13 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -57.8 -28.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -72.36 -28.39 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -94.2 164.57 12.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.93 44.66 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -89.65 106.5 18.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.02 -28.76 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.81 -36.04 72.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.64 -24.3 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtp -53.15 -51.96 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.8 tpp -53.75 -54.03 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.14 -35.46 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.15 -44.27 80.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.508 ' CD1' HG21 ' A' ' 17' ' ' THR . 10.0 mt -65.12 -40.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -76.26 -26.67 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -73.8 -44.08 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.09 -55.55 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -84.68 146.61 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -104.16 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 p -135.68 -62.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.41 147.16 49.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 52.12 60.61 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -66.83 147.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.482 ' N ' HD13 ' A' ' 58' ' ' ILE . 10.0 ptp -108.56 88.06 4.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.844 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.56 23.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.75 -23.79 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -51.96 169.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -131.91 163.16 28.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.59 126.3 31.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -117.47 -11.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.29 147.55 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -134.07 142.87 47.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.528 HG13 HG12 ' A' ' 79' ' ' VAL . 69.3 t -130.81 117.25 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.9 t -95.34 116.06 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 37' ' ' ILE . 99.7 t -123.73 112.32 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -125.51 111.66 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -76.61 -39.74 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.51 -52.66 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -82.97 -14.86 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 mttm 63.61 54.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 105' ' ' LYS . 9.7 mt -122.88 124.15 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.46 ' SD ' HG13 ' A' ' 70' ' ' VAL . 18.1 mmt -122.1 120.07 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -141.63 133.99 28.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 108' ' ' THR . 17.7 m -126.12 136.34 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.9 m -135.85 96.92 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' HD13 ' A' ' 92' ' ' ILE . 10.1 m-85 -99.96 135.65 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.43 125.95 49.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.83 86.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 pt -138.74 -178.4 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.04 167.22 11.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.07 -36.13 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -26.45 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.601 ' CG ' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -77.11 -40.44 45.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -63.45 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -70.21 -55.72 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.608 ' CG1' HD21 ' A' ' 27' ' ' LEU . 7.4 p -63.61 -38.37 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.49 HD11 ' HG2' ' A' ' 88' ' ' MET . 76.3 mt -67.99 -43.12 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.57 -38.96 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.84 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.0 m -61.18 -41.73 97.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.55 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.576 ' HA ' HG11 ' A' ' 106' ' ' VAL . 14.9 mm-40 -68.29 -31.49 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.13 -26.7 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -56.12 -23.45 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -49.96 -30.79 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -54.43 -38.04 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -127.11 26.09 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -179.4 83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -50.81 -30.47 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 76' ' ' LEU . 5.8 tmtt? -70.12 83.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 97' ' ' GLU . 53.1 t -126.14 126.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -133.74 146.57 50.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.608 HG22 HG22 ' A' ' 79' ' ' VAL . 25.4 p -138.46 145.38 40.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.0 127.34 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.9 tmm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ptt? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.54 123.78 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.485 HD12 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mm? -96.27 107.61 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' C ' HG12 ' A' ' 65' ' ' VAL . 26.5 p -112.24 150.4 30.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -116.79 145.03 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 129.83 45.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 2.0 t80 -124.83 106.24 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -94.07 100.24 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.94 HD12 HD11 ' A' ' 33' ' ' LEU . 11.1 tt -111.0 127.9 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -134.1 95.78 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.63 174.25 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.09 101.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.08 32.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -133.02 11.76 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.03 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.53 16.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.46 ' HB ' HG23 ' A' ' 9' ' ' ILE . 97.3 m -115.91 115.02 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.96 106.86 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.3 mt -110.61 118.43 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.63 130.24 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.64 134.78 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.9 t -55.89 148.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.683 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.7 ptm -52.93 -33.36 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 43.3 t0 -76.35 -29.68 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -97.03 9.19 42.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.88 -56.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CG1' ' A' ' 92' ' ' ILE . 13.3 tp -55.79 -42.35 75.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.94 -49.64 73.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -54.62 -46.3 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.38 -42.56 96.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -55.91 -51.05 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.25 -38.93 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 9' ' ' ILE . 1.4 tp -54.24 -40.64 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -67.76 -20.79 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.57 -29.37 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.51 -32.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -23.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.99 -25.48 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.74 179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -123.1 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.8 p-10 -51.85 129.13 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.11 -18.6 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.32 -22.58 53.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 41' ' ' ASP . 14.6 p -89.78 -27.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mtp -56.42 -52.15 65.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.27 -58.76 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.82 -35.88 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 33' ' ' LEU . 57.1 t80 -66.84 -52.04 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 8.7 mt -55.2 -45.13 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.01 -28.33 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.24 -47.96 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.41 -56.6 3.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -75.31 117.21 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.85 120.49 31.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -75.71 69.12 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.26 162.37 19.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 63.34 38.61 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.48 126.36 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.55 159.91 28.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -15.91 37.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -96.02 32.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -91.37 147.91 22.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD3' HD21 ' A' ' 3' ' ' LEU . 11.1 ptmt -136.22 170.4 16.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.86 129.47 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 23' ' ' MET . 10.6 p -102.78 -21.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.66 162.58 28.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -136.11 140.3 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.727 HG13 HG12 ' A' ' 79' ' ' VAL . 80.2 t -131.15 127.07 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -106.4 115.96 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 77' ' ' MET . 90.1 t -127.43 117.08 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -131.94 105.09 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.73 -23.64 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.04 -50.81 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -98.6 19.66 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 38.71 47.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.0 mt -103.63 127.61 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 70' ' ' VAL . 13.2 mmt -137.85 111.64 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -141.53 127.12 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.727 HG12 HG13 ' A' ' 68' ' ' VAL . 21.9 m -123.97 123.69 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.65 102.6 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 10.5 p90 -126.98 173.07 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -51.64 151.93 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.6 101.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 92' ' ' ILE . 31.1 pt -97.54 -177.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.08 164.66 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.03 -32.6 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.1 -40.17 67.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.581 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.2 mtt -77.04 -33.08 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -56.93 -35.2 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.63 -55.06 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.73 -51.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.792 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 37.3 mt -55.31 -39.88 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -66.13 -45.91 79.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.97 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 m -59.24 -49.9 76.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.66 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -68.79 -36.57 78.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -63.35 -32.48 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.17 -23.79 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HG3' HG21 ' A' ' 106' ' ' VAL . 42.4 mttt -50.82 -30.76 15.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -51.86 -36.79 49.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -127.09 25.42 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.81 78.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -51.78 -29.93 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -72.98 77.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.463 HG21 ' HG3' ' A' ' 100' ' ' LYS . 53.1 t -112.71 128.85 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -138.06 111.16 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -109.36 121.99 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -82.27 162.58 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 41.5 mtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.9 m -105.01 107.9 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.697 HD22 ' CG1' ' A' ' 65' ' ' VAL . 40.3 mt -91.39 108.27 19.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.721 ' O ' HG22 ' A' ' 65' ' ' VAL . 31.2 p -118.74 169.37 9.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -136.58 161.84 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.5 mmt -107.24 133.69 51.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.25 106.38 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.14 107.74 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.009 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -118.8 122.22 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.98 123.38 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.0 152.26 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 114.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.2 47.04 7.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -168.22 136.12 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -51.78 156.93 2.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.1 69.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.601 HG21 HD13 ' A' ' 49' ' ' ILE . 98.2 m -120.87 118.84 30.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.49 106.8 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.6 mt -110.67 107.7 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.99 129.69 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.9 145.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 25' ' ' ARG . 5.7 m -52.06 158.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.675 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -74.33 -25.08 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.42 -25.55 54.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' H ' HG23 ' A' ' 22' ' ' VAL . 22.4 ttp180 -107.43 -8.53 16.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 5' ' ' ALA . 2.9 t80 -51.65 -46.46 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 91' ' ' VAL . 25.1 tp -55.77 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.81 -46.57 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.16 -49.32 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.92 -42.48 94.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -57.89 -48.7 79.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.54 -33.25 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.009 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -61.17 -43.82 98.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 37' ' ' ILE . 29.9 t80 -58.05 -21.66 46.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -61.23 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 33' ' ' LEU . 20.4 tt -53.74 -33.42 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.1 tp -55.88 -29.11 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -111.96 29.71 7.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.63 -4.98 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 52.04 30.01 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.0 94.37 7.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.8 p -85.03 -48.48 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.97 -27.9 61.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -87.86 -20.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.695 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.99 -52.19 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptp -52.08 -45.74 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -64.85 -42.22 95.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.15 -35.24 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.601 HD13 HG21 ' A' ' 17' ' ' THR . 46.0 mt -73.86 -48.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -69.08 -20.32 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -85.18 -46.46 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -80.35 -59.21 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -61.66 143.67 55.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -102.36 86.8 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 t -75.73 68.29 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -121.45 -175.4 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -119.74 33.73 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 58' ' ' ILE . 19.0 tt -109.69 127.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -162.84 67.03 1.77 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.5 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -132.41 31.69 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -50.43 131.12 24.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HB3' HD23 ' A' ' 3' ' ' LEU . 73.7 tttt -146.05 120.6 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -69.19 135.78 51.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 4' ' ' CYS . 6.1 m -113.94 -20.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.18 157.9 18.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -133.19 143.84 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG22 ' CG1' ' A' ' 79' ' ' VAL . 91.2 t -120.12 137.95 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.9 t -114.3 123.3 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 77' ' ' MET . 86.2 t -134.9 109.88 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -122.15 94.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -67.95 -43.91 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.35 -0.15 44.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm 56.73 51.62 10.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -128.64 123.75 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.517 ' HB2' HG22 ' A' ' 106' ' ' VAL . 12.4 mmt -116.77 130.77 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.48 154.66 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.502 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.19 136.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 m -134.56 96.91 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.723 ' CE2' HD13 ' A' ' 92' ' ' ILE . 5.5 m-85 -104.31 135.12 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -134.88 135.04 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.32 64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.99 169.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.68 160.15 26.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.8 -41.93 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -60.29 -44.47 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.517 ' HG2' HD11 ' A' ' 92' ' ' ILE . 1.8 ttt -62.48 -32.83 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -60.57 -25.8 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -70.09 -55.42 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 7.6 p -65.73 -37.43 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.723 HD13 ' CE2' ' A' ' 81' ' ' PHE . 58.4 mt -67.4 -49.76 68.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -62.42 -41.04 98.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.34 -49.59 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -61.31 -40.25 93.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.82 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.5 -34.81 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.75 54.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.43 -23.1 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.75 -30.75 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -51.99 -29.98 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -117.31 -22.31 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -144.19 85.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.27 -28.94 13.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 77.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 77' ' ' MET . 95.0 t -116.83 143.29 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -138.74 110.02 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.0 p -105.87 119.75 39.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -66.15 131.42 46.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.8 tpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 m -111.41 113.53 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.77 HD12 HG22 ' A' ' 65' ' ' VAL . 4.3 mm? -79.31 107.57 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -130.55 172.0 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 155.25 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.44 122.47 42.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.08 106.48 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.39 111.91 23.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 9.4 tt -124.95 122.17 62.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.56 100.64 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.15 171.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.51 -30.49 20.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.34 61.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -141.66 17.47 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.86 43.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.0 m -130.04 117.58 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.12 106.77 18.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' A' ' 53' ' ' ALA . 14.4 mt -106.92 107.91 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.2 117.97 23.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.6 132.92 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 24' ' ' ASP . 35.9 t -51.98 145.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.658 ' HG3' HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -54.81 -31.17 58.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 22' ' ' VAL . 18.5 t0 -70.17 -27.4 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -110.62 15.62 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.77 -56.51 11.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 ' CG1' ' A' ' 92' ' ' ILE . 6.6 tp -57.42 -43.36 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.93 -51.02 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -54.81 -48.98 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.55 -42.24 98.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -56.28 -49.55 73.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.1 -34.03 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' C ' HG22 ' A' ' 37' ' ' ILE . 28.9 t80 -59.2 -21.32 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -57.84 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.7 tt -59.08 -34.12 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.524 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -61.68 -27.51 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.0 -25.53 66.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.18 164.82 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -112.44 44.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 m-20 -94.7 109.85 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -85.16 -21.22 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.76 -29.57 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 36' ' ' ILE . 10.5 p -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.4 mmm -52.93 -51.89 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.9 ptm -56.12 -45.75 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.7 -41.53 81.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' A' ' 33' ' ' LEU . 64.6 t80 -65.93 -48.77 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt -55.14 -48.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t -72.72 -27.76 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.08 -48.0 75.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -87.24 -57.2 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -71.07 128.01 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -78.1 144.05 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -93.73 74.83 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -139.23 161.23 37.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -54.97 133.09 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -89.24 129.28 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.18 157.85 57.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -16.85 37.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -35.56 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.44 145.69 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 3' ' ' LEU . 25.0 ttmt -115.56 134.51 54.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 128.97 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 3' ' ' LEU . 42.9 t -108.72 -23.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.83 160.32 24.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -127.48 140.65 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.079 HG13 HG12 ' A' ' 79' ' ' VAL . 90.2 t -126.83 106.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -89.42 115.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG23 HG12 ' A' ' 68' ' ' VAL . 72.7 t -132.01 109.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -126.15 118.95 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.07 -38.55 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -54.3 -53.07 58.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' LYS . 33.4 mttm -98.92 16.11 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 37.82 44.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.2 mt -102.97 115.22 30.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.13 95.29 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -122.27 115.89 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.079 HG12 HG13 ' A' ' 68' ' ' VAL . 22.6 m -108.22 135.05 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.8 t -150.21 107.34 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 92' ' ' ILE . 19.9 p90 -134.83 172.81 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.5 p -51.28 142.43 13.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.52 89.05 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' A' ' 92' ' ' ILE . 27.4 pt -83.63 -175.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.02 158.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.9 -42.09 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.17 -45.94 65.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.1 ttt -77.08 -39.42 49.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -56.73 -49.8 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -51.9 -44.44 63.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.405 HG12 HD11 ' A' ' 27' ' ' LEU . 65.9 t -62.3 -54.68 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 81' ' ' PHE . 19.3 mt -54.51 -48.39 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -58.28 -45.33 88.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -58.54 -48.41 80.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.73 -31.53 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.17 -35.32 68.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -56.84 -30.47 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.524 ' CE1' HG21 ' A' ' 37' ' ' ILE . 29.5 m-85 -57.45 -23.12 47.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -49.2 -31.47 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -51.57 -39.97 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -127.29 26.07 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.66 89.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -62.5 -17.26 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -109.85 81.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 96' ' ' ALA . 11.3 p -131.86 139.17 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.08 151.17 33.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 p -133.88 145.96 50.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.07 50.72 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 ptp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.77 131.45 34.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.92 107.49 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.663 ' C ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -119.11 144.53 46.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' HG13 ' A' ' 65' ' ' VAL . . . -108.35 144.87 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.5 mmt -94.12 129.47 40.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.668 ' CE2' HG11 ' A' ' 68' ' ' VAL . 2.6 t80 -123.33 106.33 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -94.6 98.17 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.012 HD12 HD11 ' A' ' 33' ' ' LEU . 11.6 tt -105.48 129.09 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.24 116.68 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttp -75.83 167.66 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 120.29 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.67 53.44 38.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.7 m -149.45 175.48 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -92.42 160.73 34.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.0 m -83.21 116.92 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 106.87 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.576 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.2 mt -111.68 113.87 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.41 117.21 28.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 29' ' ' SER . 20.9 t -128.61 131.22 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' H ' ' A' ' 25' ' ' ARG . 16.8 m -57.92 147.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.618 ' HB2' HG11 ' A' ' 65' ' ' VAL . 2.3 ttp -56.28 -26.97 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' H ' HG23 ' A' ' 22' ' ' VAL . 9.5 tpp85 -113.82 12.31 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -68.05 -56.37 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 92' ' ' ILE . 15.3 tp -56.91 -45.03 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.29 -49.14 78.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.406 ' HB3' HG11 ' A' ' 21' ' ' VAL . 47.4 p -54.68 -46.06 74.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.84 -42.64 97.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -56.73 -50.19 72.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -70.96 -39.84 72.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.012 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -54.08 -41.47 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -67.07 -20.79 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.32 -29.82 26.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.1 -32.05 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.1 tp -60.92 -23.72 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -52.19 -29.86 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.65 163.01 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.1 46.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -85.03 -23.9 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.65 -28.44 69.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 36' ' ' ILE . 14.5 p -90.91 -22.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.9 mtp -52.91 -52.04 59.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 49' ' ' ILE . 14.5 ptm -53.97 -46.79 71.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -58.67 -40.93 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HD12 ' A' ' 33' ' ' LEU . 58.6 t80 -66.75 -49.51 65.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 mt -54.99 -46.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -74.89 -27.27 60.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.79 -48.02 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.28 -54.59 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -78.71 111.51 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -71.5 138.22 48.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -87.29 73.41 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.0 173.73 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -81.31 115.92 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.07 132.82 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtt -101.33 160.6 26.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.568 0.699 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.95 30.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.242 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.0 -39.25 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.38 131.29 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -114.34 155.02 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.777 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -76.32 142.35 41.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.663 HG12 ' C ' ' A' ' 4' ' ' CYS . 10.0 p -117.17 -16.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.35 159.9 23.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.777 ' CE2' HG21 ' A' ' 64' ' ' THR . 20.4 m-85 -127.3 132.79 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 7' ' ' TYR . 76.2 t -131.17 133.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.38 115.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.49 112.58 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -129.33 110.06 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.34 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -93.52 -13.6 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.636 ' O ' HD23 ' A' ' 76' ' ' LEU . 16.2 ttpt 63.51 57.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 75' ' ' LYS . 13.9 mt -140.88 118.8 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -127.35 98.44 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 151.36 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 108' ' ' THR . 17.7 m -146.31 128.26 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -147.22 96.72 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 7.6 p90 -120.66 172.6 7.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 t -51.29 144.6 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -62.28 104.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.606 HD12 ' CB ' ' A' ' 88' ' ' MET . 26.0 pt -100.86 -178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.08 165.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -75.06 -40.03 60.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.03 -53.08 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.606 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.6 mtp -57.42 -32.12 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -63.09 -25.75 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -69.75 -55.48 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.16 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.665 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 70.9 mt -67.43 -43.82 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.068 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -65.54 -41.33 93.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.14 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.5 m -61.13 -41.95 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.69 82.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.16 -34.16 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -62.72 -31.75 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' HG21 ' A' ' 37' ' ' ILE . 2.9 m-85 -56.05 -21.79 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.69 -28.59 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -51.34 -30.8 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -127.69 0.39 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.62 78.73 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -51.14 -30.11 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -72.35 79.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.17 134.63 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -142.09 136.72 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.6 p -132.29 148.72 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -96.7 108.36 20.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 m -110.68 138.89 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 63' ' ' LYS . 11.9 tp -121.02 140.48 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -145.98 161.82 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.662 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -118.42 145.34 45.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.8 mmt -93.96 123.17 37.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -113.03 110.3 20.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.51 118.87 34.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.053 HD12 HD21 ' A' ' 33' ' ' LEU . 10.8 tt -129.62 127.22 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -134.02 94.86 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 ttp -64.23 165.59 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.07 51.59 49.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -135.71 8.15 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 62.38 160.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 85.1 m -115.16 118.13 32.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -86.96 106.76 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mt -108.15 114.52 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -88.04 123.89 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 26' ' ' PHE . 21.3 t -122.07 147.95 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.99 155.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -15.56 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -110.61 2.24 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -118.68 -16.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' HG11 ' A' ' 21' ' ' VAL . 2.9 p90 -48.98 -34.04 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -55.03 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.53 -41.75 77.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -61.58 -48.81 79.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' HZ ' HG11 ' A' ' 79' ' ' VAL . 1.4 t80 -59.75 -42.53 93.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 t -60.42 -49.93 75.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.66 -29.82 69.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -66.18 -46.31 77.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 16.2 t80 -57.53 -21.54 38.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -60.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.6 tt -55.12 -35.97 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.3 tp -53.67 -28.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -71.71 -35.25 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -83.48 -176.45 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -131.27 29.54 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.23 108.84 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -84.93 -55.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.3 -25.01 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.51 -20.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.419 ' HG2' HD11 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.9 -51.98 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.416 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.08 -40.35 73.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -61.46 -42.57 98.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -66.48 -48.67 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.4 mt -56.15 -47.07 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 t -73.84 -27.23 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -65.57 -47.92 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -87.98 -55.78 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.86 152.23 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -102.67 146.9 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -97.47 77.94 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -156.95 168.95 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -62.55 151.83 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -114.42 109.5 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.8 160.5 82.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -51.65 -29.92 19.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.25 124.42 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 3' ' ' LEU . 39.6 tttm -105.65 148.21 27.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.742 HG21 ' CE1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -83.56 139.06 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.662 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 7.7 p -109.9 -5.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.18 156.34 8.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 64' ' ' THR . 18.5 m-85 -123.24 120.38 32.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.022 HG13 HG12 ' A' ' 79' ' ' VAL . 88.7 t -100.68 136.26 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.68 115.09 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG11 HD13 ' A' ' 37' ' ' ILE . 93.6 t -125.27 109.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -115.82 111.78 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.71 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.78 -51.19 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -98.68 -5.06 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 59.63 44.06 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.799 HD23 ' HG3' ' A' ' 105' ' ' LYS . 6.4 mt -103.26 134.59 46.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.459 ' CB ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -122.54 112.51 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -142.11 103.8 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.022 HG12 HG13 ' A' ' 68' ' ' VAL . 13.5 m -111.04 137.41 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.4 p -119.03 96.88 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.11 137.64 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -81.08 -173.45 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -52.7 107.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.78 179.73 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -70.49 151.53 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.44 -42.95 95.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -63.9 -49.21 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.38 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -56.64 -37.53 70.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -62.31 -52.97 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.59 -56.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt -57.3 -38.03 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.33 -35.87 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -49.69 31.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -60.76 -38.93 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.53 61.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.49 -32.0 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -54.33 -26.73 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -55.91 -23.19 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -48.62 -31.78 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -127.16 26.27 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.0 82.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -56.59 -21.64 28.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -95.92 70.2 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 77' ' ' MET . 13.7 p -120.64 135.08 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -146.0 147.2 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 79' ' ' VAL . 16.9 p -140.26 142.56 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.97 163.6 12.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.2 ttp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -106.27 148.01 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.462 HD13 ' SD ' ' A' ' 23' ' ' MET . 19.8 mt -100.41 110.2 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 17.7 p -109.59 161.55 15.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.23 140.44 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.84 122.64 42.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -119.69 106.38 12.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -95.66 101.6 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.113 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -109.75 129.92 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.19 90.41 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.87 102.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.61 50.53 60.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -125.93 14.32 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.44 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.77 23.98 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.8 m -119.63 115.02 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.94 106.88 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -110.73 114.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -89.52 115.34 26.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG12 ' HB3' ' A' ' 25' ' ' ARG . 41.6 t -121.96 137.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.84 148.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.677 ' HG3' HG11 ' A' ' 65' ' ' VAL . 7.3 ttp -52.95 -52.84 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.8 -25.88 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' HG12 ' A' ' 21' ' ' VAL . 19.1 tpp180 -91.64 7.57 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.15 -55.85 21.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' HG3' ' A' ' 88' ' ' MET . 19.4 tp -55.74 -38.92 70.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.41 -50.41 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -48.93 76.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -57.81 -50.73 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.89 -30.5 69.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.15 -45.46 88.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' C ' HG22 ' A' ' 37' ' ' ILE . 23.7 t80 -58.57 -21.54 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.47 -61.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -38.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.5 tp -55.44 -29.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -95.69 31.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.23 150.93 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -87.94 54.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.58 87.21 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.5 p -84.99 -50.96 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.11 -23.32 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.37 -15.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -52.9 -52.06 59.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -55.65 -45.93 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.5 -36.06 82.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.2 mt -71.41 -38.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 t -76.62 -25.2 53.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -79.35 -48.06 14.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.12 -50.12 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -91.69 170.19 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 61.91 56.44 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 p -103.05 -25.01 13.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -139.5 175.27 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -99.75 38.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -113.4 152.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.464 ' N ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -179.37 -61.11 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 59' ' ' MET . 53.8 Cg_endo -69.79 -8.2 23.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -103.01 -53.22 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -56.33 176.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -129.83 153.95 47.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 102.14 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' HG3' ' A' ' 23' ' ' MET . 10.1 p -77.2 -15.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.6 158.03 17.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -131.74 146.26 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 HG12 ' A' ' 79' ' ' VAL . 68.8 t -131.1 121.66 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -97.17 115.45 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.58 115.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -130.01 118.33 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.81 -55.05 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.13 -51.15 70.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -74.53 -20.45 59.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 76' ' ' LEU . 50.6 mmtt 61.37 60.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 75' ' ' LYS . 10.8 mt -131.97 128.17 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.963 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.23 116.96 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -141.45 127.18 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.621 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.2 m -120.84 122.04 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -136.67 96.93 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.73 ' CE2' HD13 ' A' ' 84' ' ' ILE . 24.5 p90 -141.04 152.71 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -123.19 -175.54 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.71 60.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.73 HD13 ' CE2' ' A' ' 81' ' ' PHE . 6.9 pt -143.86 177.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.93 161.79 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.94 -41.08 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -65.48 -26.35 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.613 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -70.83 -27.89 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -60.8 -25.7 66.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -65.26 -55.73 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.77 -36.09 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' HZ ' ' A' ' 81' ' ' PHE . 31.7 mt -67.75 -47.7 78.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -64.52 -43.46 93.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.15 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -63.22 -37.55 87.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.65 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -74.79 -36.89 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -53.91 -28.57 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.68 -23.54 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.656 ' HG2' HG21 ' A' ' 106' ' ' VAL . 2.6 mmmm -50.63 -30.99 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -52.94 -38.5 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 26.0 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -175.38 80.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -51.57 -30.36 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -75.04 85.04 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 100' ' ' LYS . 95.7 t -122.38 139.56 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -146.54 135.46 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.621 HG22 ' CG2' ' A' ' 79' ' ' VAL . 70.5 p -134.3 120.54 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.63 138.35 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -95.81 145.85 25.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.562 HD22 ' CG1' ' A' ' 65' ' ' VAL . 54.6 mt -120.74 107.7 13.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.707 ' O ' HG22 ' A' ' 65' ' ' VAL . 22.5 m -124.48 154.95 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 mmt -97.09 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.14 106.51 17.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.77 111.77 23.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.979 HD12 HD11 ' A' ' 33' ' ' LEU . 10.5 tt -120.73 130.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.05 87.53 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ttp -83.76 135.32 34.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 51.62 42.12 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.61 43.58 59.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 m -94.77 38.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.2 m80 64.48 153.65 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 98.15 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.3 m -76.93 114.5 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.94 106.87 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.3 mt -111.6 101.88 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -80.43 113.8 18.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.93 138.04 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 25' ' ' ARG . 19.4 m -63.37 141.81 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.619 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.04 -28.4 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.63 -25.43 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' H ' HG23 ' A' ' 22' ' ' VAL . 18.9 mmt85 -121.93 14.74 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HG21 ' A' ' 68' ' ' VAL . 10.9 t80 -63.34 -56.58 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 92' ' ' ILE . 8.6 tp -55.95 -43.18 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.83 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -58.13 -44.49 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -62.28 -42.93 99.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -50.54 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -66.96 -43.14 83.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.979 HD11 HD12 ' A' ' 9' ' ' ILE . 1.8 tp -53.93 -42.53 68.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -66.43 -20.73 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -29.81 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 tt -91.17 -32.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -60.84 -26.5 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -56.38 -28.0 57.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.95 179.63 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.06 36.68 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.17 99.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -85.01 -29.05 25.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.47 -44.65 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.36 -21.05 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 mtp -52.85 -52.15 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 ttp -57.06 -57.9 10.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -53.54 -34.69 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -67.84 -47.58 68.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.1 mt -60.87 -40.99 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -77.13 -27.47 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -68.94 -48.12 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -86.26 -51.55 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -88.3 162.83 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 63.25 54.46 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 p -113.57 -25.05 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -141.57 179.46 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.89 152.6 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.5 mm -103.89 145.39 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.7 mtt -119.21 160.55 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -20.45 34.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -96.1 34.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.59 138.06 31.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -102.38 142.43 33.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -92.67 102.01 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 4' ' ' CYS . 12.7 m -64.44 -18.92 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -164.28 28.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -150.02 160.49 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.397 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 ' CG1' ' A' ' 79' ' ' VAL . 95.0 t -131.23 120.33 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.42 128.15 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.699 HG13 ' HE1' ' A' ' 77' ' ' MET . 90.9 t -143.94 109.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.31 112.71 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.8 -47.85 43.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.91 -48.06 69.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -74.53 -19.41 60.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.711 ' O ' HD23 ' A' ' 76' ' ' LEU . 49.3 mttm 63.55 56.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 75' ' ' LYS . 14.1 mt -134.42 123.04 23.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 70' ' ' VAL . 59.7 mmm -129.79 113.81 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.5 153.08 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.556 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.68 122.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.2 t -140.77 105.82 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 18.8 p90 -139.64 169.2 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.7 t -50.18 140.18 13.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.68 90.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.692 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.8 pt -83.31 -175.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -50.54 153.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -71.7 -41.5 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -51.38 -36.07 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 84' ' ' ILE . 3.1 ttm -77.05 -35.2 56.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.38 -25.42 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -64.91 -55.59 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.96 -33.17 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.795 HG12 HD13 ' A' ' 27' ' ' LEU . 97.2 mt -70.38 -45.33 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.77 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.1 m -62.46 -42.43 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.56 66.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.11 -35.83 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -54.95 -29.88 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -57.25 -23.51 48.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -50.58 -30.76 13.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -51.91 -36.13 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -127.21 26.13 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.36 79.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -50.84 -31.06 16.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.5 tmtm? -75.97 79.47 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.64 137.3 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -145.16 109.98 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.5 p -110.66 122.75 48.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -52.04 149.62 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.33 107.95 19.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.804 HD22 HG22 ' A' ' 65' ' ' VAL . 27.8 mt -82.54 109.52 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.79 163.06 33.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 66' ' ' GLY . . . -119.43 157.99 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.91 136.35 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.432 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -126.82 106.28 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.28 91.04 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 HD21 ' A' ' 33' ' ' LEU . 12.0 tt -97.62 130.34 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 110.94 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 154.75 40.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -52.02 106.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.98 45.2 7.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -153.67 141.08 19.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -51.6 157.03 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 140.36 42.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -118.11 119.43 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 106.85 18.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' ALA . 13.0 mt -107.65 119.89 58.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -91.68 118.15 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 29' ' ' SER . 16.9 t -126.77 125.57 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.98 145.28 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.503 ' HB3' HG21 ' A' ' 65' ' ' VAL . 2.3 ptt? -58.53 -22.24 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.43 -20.82 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.12 19.04 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -63.34 -56.3 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 92' ' ' ILE . 7.8 tp -55.67 -51.13 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.23 -43.82 83.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.603 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.9 t -56.54 -50.6 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 8.4 t80 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -56.29 -48.57 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.46 -29.84 64.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -60.45 -49.97 75.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.598 ' O ' HG22 ' A' ' 37' ' ' ILE . 34.1 t80 -55.38 -21.3 14.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -50.66 6.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 33' ' ' LEU . 18.1 tt -71.05 -9.28 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.0 tp -81.74 9.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -116.29 81.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 69.73 81.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -133.25 79.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -46.17 155.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -54.26 -25.89 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -53.97 -46.44 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.22 -25.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.83 -50.66 63.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -50.98 -45.48 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.27 -43.61 88.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.73 -48.33 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 81.0 mt -54.74 -46.7 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -76.27 -24.35 54.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.17 -47.94 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -89.37 -52.44 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -84.03 133.47 34.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -76.72 -14.36 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p 50.03 42.77 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -94.24 -177.15 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.29 154.07 42.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 mp -102.99 129.77 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 mtt -137.81 160.6 64.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.19 37.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.62 2.213 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.3 -45.62 80.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.81 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -143.02 146.96 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.42 125.56 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.804 HG22 HD22 ' A' ' 3' ' ' LEU . 29.2 t -103.58 -15.3 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HB1' ' A' ' 5' ' ' ALA . . . 175.73 159.53 21.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -131.83 137.15 47.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 HG12 ' A' ' 79' ' ' VAL . 94.2 t -130.69 113.65 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -96.41 115.88 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -123.96 112.18 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -125.53 108.49 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -73.83 -29.13 61.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -52.29 60.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.24 -6.02 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' O ' HD23 ' A' ' 76' ' ' LEU . 74.0 mttt 58.97 60.93 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 75' ' ' LYS . 19.5 mt -130.38 125.47 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.553 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 tmm? -121.55 116.17 24.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -131.65 127.89 37.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.703 HG12 HG13 ' A' ' 68' ' ' VAL . 21.0 m -129.75 123.74 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -143.32 98.21 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 11.7 p90 -123.65 170.82 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 84' ' ' ILE . 2.9 t -50.65 133.21 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.86 107.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 82' ' ' SER . 30.4 pt -102.76 -175.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -51.38 139.67 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -39.64 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -52.17 -37.07 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.3 tpp -77.16 -27.86 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -56.76 -35.76 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -60.09 -55.14 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.26 -52.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 27' ' ' LEU . 67.8 mt -55.99 -45.35 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.23 -42.45 95.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.11 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 96.2 m -57.57 -52.89 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -64.51 -27.85 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -72.4 -36.98 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.58 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -57.24 -23.8 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 106' ' ' VAL . 37.2 mttt -56.43 -24.86 48.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.04 -23.7 55.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.11 26.5 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.4 -35.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.38 24.63 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.949 0.404 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -144.21 92.74 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.526 HG13 ' CE ' ' A' ' 77' ' ' MET . 85.6 t -125.76 139.75 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.43 109.89 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.652 HG22 ' CG2' ' A' ' 79' ' ' VAL . 26.3 p -104.52 144.93 31.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.61 104.69 16.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.08 107.54 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m -104.96 155.83 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.671 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.92 151.64 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mmt -107.39 107.89 18.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.3 106.47 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -92.28 121.89 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.081 HD12 HD21 ' A' ' 33' ' ' LEU . 11.8 tt -132.54 130.03 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t -134.17 89.38 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.36 173.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.11 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.77 53.79 42.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -130.97 15.44 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.52 160.66 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 135.04 29.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.5 m -122.66 114.15 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -85.12 106.9 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.4 mt -107.08 109.77 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -84.37 119.05 24.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' OG ' ' A' ' 29' ' ' SER . 43.7 t -135.29 132.55 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.3 t -56.52 149.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' HG21 ' A' ' 65' ' ' VAL . 8.8 ptt? -52.86 -33.39 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -68.03 -32.63 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -98.42 12.67 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.14 -55.53 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 ' CG1' ' A' ' 92' ' ' ILE . 21.3 tp -55.71 -45.74 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.72 -50.2 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.571 ' OG ' HG11 ' A' ' 21' ' ' VAL . 18.7 m -53.81 -46.76 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.3 -42.29 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -57.91 -44.5 86.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.59 -30.26 61.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.081 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -64.08 -45.03 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -59.21 -21.7 59.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.75 -60.07 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -57.96 -38.55 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.97 -24.9 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -95.92 29.25 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.28 176.53 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -123.81 36.48 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 44' ' ' VAL . 2.7 m-20 -108.3 104.28 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -85.17 -16.25 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.68 -46.48 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 41' ' ' ASP . 10.1 p -60.23 -19.8 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.6 mtp -52.89 -51.17 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 tpp -52.91 -53.19 52.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.08 -31.7 65.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -74.39 -48.79 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 4.1 mt -65.33 -31.97 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.7 m -79.05 -50.41 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -83.9 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -93.24 124.35 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.6 tttp . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.824 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -101.2 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.671 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.7 p -74.96 -23.3 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.17 171.52 26.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.74 151.02 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG13 HG12 ' A' ' 79' ' ' VAL . 66.7 t -131.08 115.78 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -90.32 120.72 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.85 116.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -131.34 119.66 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.67 33.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.08 -52.71 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -93.01 -11.85 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 63.58 56.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' HG2' ' A' ' 105' ' ' LYS . 7.5 mt -116.74 138.93 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.3 tmm? -134.47 122.52 22.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 m -141.33 130.77 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.3 m -126.78 122.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.42 97.01 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 84' ' ' ILE . 13.9 p90 -149.74 151.23 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -125.19 -169.97 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.5 50.79 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 81' ' ' PHE . 7.4 pt -139.94 154.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.08 156.55 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.18 -39.72 65.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.83 -27.59 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.418 ' O ' HD12 ' A' ' 92' ' ' ILE . 4.0 ttm -63.61 -30.78 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -57.01 -35.52 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -58.99 -53.63 56.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.04 -55.05 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 9.6 mt -52.51 -50.09 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -58.18 -47.28 83.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.12 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.5 m -59.27 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.694 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -61.43 -28.54 69.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.03 -38.83 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.13 -28.54 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.5 m-85 -57.57 -23.63 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -50.88 -30.72 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -54.96 -36.62 65.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -127.06 25.88 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.82 84.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -51.62 -30.37 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' HD22 ' A' ' 76' ' ' LEU . 12.9 tppt? -64.18 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.74 125.65 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -136.79 138.02 40.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.2 p -134.02 144.54 48.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.821 0.344 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.89 137.98 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.8 p -135.73 148.72 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.631 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.35 160.34 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.4 mmt -113.31 130.47 56.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -115.87 106.3 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -93.75 102.52 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.048 HD12 HD21 ' A' ' 33' ' ' LEU . 11.6 tt -107.44 128.91 62.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -134.02 108.83 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.21 149.76 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 111.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.35 44.37 8.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 m -160.45 140.5 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -51.7 157.01 2.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 153.66 68.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -128.02 118.63 23.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.15 106.79 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.56 110.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.05 130.63 35.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' HB3' ' A' ' 25' ' ' ARG . 21.1 t -137.97 142.9 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.3 151.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.703 ' CG ' HG21 ' A' ' 65' ' ' VAL . 9.7 tmm? -52.92 -51.24 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.51 -26.11 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HB3' HG12 ' A' ' 21' ' ' VAL . 16.5 tpp180 -90.9 4.37 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -62.26 -54.53 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.672 HD22 ' HG2' ' A' ' 88' ' ' MET . 23.3 tp -55.85 -45.26 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.41 -49.78 76.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -55.91 -49.28 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -60.67 -42.26 96.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t -57.73 -50.51 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -29.95 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.048 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.78 -44.96 88.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' C ' HG22 ' A' ' 37' ' ' ILE . 46.9 t80 -58.82 -21.6 56.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.76 -59.31 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.9 tt -57.31 -35.52 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.473 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.2 tp -62.93 -28.92 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.07 -26.05 64.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.17 -174.75 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -126.74 30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.97 106.55 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -30.68 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.32 -23.9 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.19 -20.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mmm -52.99 -51.99 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptm -52.17 -47.2 65.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -58.59 -41.78 86.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.32 -47.2 74.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 43.9 mt -56.41 -47.94 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.5 m -73.92 -27.05 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.25 -48.06 74.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -88.16 -55.69 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.97 104.14 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 tttp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.338 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.07 141.96 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.703 HG21 ' CG ' ' A' ' 23' ' ' MET . 10.5 p -116.09 -24.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.97 169.45 29.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -137.13 152.22 49.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.944 HG13 HG12 ' A' ' 79' ' ' VAL . 69.6 t -130.5 113.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.71 119.52 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.08 109.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -124.83 94.18 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.75 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.74 -52.83 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -98.76 9.63 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 51.74 48.04 23.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.0 124.14 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -127.82 120.1 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -141.47 134.88 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.944 HG12 HG13 ' A' ' 68' ' ' VAL . 33.0 m -130.06 132.26 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.7 m -144.47 103.32 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.659 ' CE2' HG21 ' A' ' 84' ' ' ILE . 19.2 p90 -150.34 148.84 29.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -122.69 -170.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.639 ' OD2' HG23 ' A' ' 65' ' ' VAL . 2.3 m-20 63.34 54.04 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.659 HG21 ' CE2' ' A' ' 81' ' ' PHE . 41.5 pt -136.77 -175.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -97.37 153.12 18.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.08 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.672 ' HG2' HD22 ' A' ' 27' ' ' LEU . 5.0 ttp -56.94 -27.96 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -59.22 -25.97 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -68.47 -55.38 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 27' ' ' LEU . 6.4 p -65.68 -34.82 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.605 HG12 HD13 ' A' ' 27' ' ' LEU . 26.8 mt -70.29 -45.67 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -66.24 -37.56 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.97 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.5 m -63.92 -37.26 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.62 -30.82 59.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.75 -35.82 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -27.64 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.473 ' CE2' HG21 ' A' ' 37' ' ' ILE . 15.2 m-85 -57.44 -23.6 50.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -50.67 -31.07 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.13 -37.41 54.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -127.04 25.98 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 79.85 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.54 -30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -72.56 79.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.6 p -119.39 136.15 57.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 20.5 p -140.29 134.04 30.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -99.23 117.21 33.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 p -120.48 149.07 42.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -121.03 153.32 37.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.9 mmt -106.38 124.1 49.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -109.34 106.91 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.92 115.52 28.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.058 HD12 HD21 ' A' ' 33' ' ' LEU . 10.1 tt -126.52 125.26 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -131.17 137.37 48.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 25.0 ttp -101.28 162.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 117.66 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.76 51.67 28.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -160.98 146.06 14.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -64.78 160.96 49.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.72 40.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 9' ' ' ILE . 88.4 m -111.14 115.26 29.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.31 106.9 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.87 104.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.03 130.91 36.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 25' ' ' ARG . 15.7 t -143.8 153.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 t -56.71 154.2 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -53.1 -44.87 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.99 -50.36 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HB2' HG12 ' A' ' 21' ' ' VAL . 47.4 mtp85 -58.08 -21.45 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 2.9 t80 -51.62 -49.76 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HG12 ' A' ' 92' ' ' ILE . 12.5 tp -55.69 -51.6 66.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -56.17 -47.13 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -49.85 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.78 -42.6 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -57.29 -47.6 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -72.8 -30.12 63.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.03 -43.11 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -59.41 -21.8 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -57.23 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 33' ' ' LEU . 13.7 tt -60.12 -33.75 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 33' ' ' LEU . 1.3 tp -65.89 -26.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.09 -27.81 35.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.14 -173.49 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -127.35 26.22 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.79 115.31 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -24.72 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.39 -26.33 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 36' ' ' ILE . 7.5 p -91.05 -25.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mtp -53.01 -52.09 59.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.1 ptm -57.7 -45.13 86.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.44 -38.72 90.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 67.1 t80 -65.74 -48.62 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 57.5 mt -60.14 -45.68 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -71.54 -28.01 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -68.76 -48.05 64.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -82.92 -59.12 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -66.57 98.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -72.3 128.34 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.792 HG21 ' HG3' ' A' ' 23' ' ' MET . 10.6 p -115.42 -22.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.52 164.94 37.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -149.65 142.79 25.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.004 HG13 HG12 ' A' ' 79' ' ' VAL . 99.5 t -131.03 124.89 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.58 115.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 HG12 ' A' ' 68' ' ' VAL . 85.2 t -127.13 110.78 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -120.61 117.39 27.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -79.99 -38.35 32.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.88 -49.56 62.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.47 -8.95 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 62.98 46.07 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 105' ' ' LYS . 4.0 mt -103.41 134.01 47.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.52 115.4 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 m -141.81 103.85 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.004 HG12 HG13 ' A' ' 68' ' ' VAL . 34.1 m -107.03 130.54 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.9 m -150.15 106.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 16.0 p90 -129.8 175.25 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 t -51.16 139.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 91.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 92' ' ' ILE . 28.6 pt -87.81 -175.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.2 154.5 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -73.47 -36.67 65.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.67 -44.33 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.0 tpt -77.05 -27.73 54.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -56.72 -37.7 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.89 -49.23 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.09 -52.95 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 51.4 mt -57.49 -46.49 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.5 -40.59 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.14 72.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -60.75 -50.63 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -63.28 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.91 -33.98 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -59.1 -30.27 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 37' ' ' ILE . 17.5 m-85 -56.98 -23.57 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -50.0 -31.59 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -52.02 -35.19 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -127.06 26.04 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.71 81.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.51 -30.03 18.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.776 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.99 70.51 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 96' ' ' ALA . 7.3 p -117.71 126.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.97 151.31 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 79' ' ' VAL . 18.4 p -138.17 151.0 47.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.6 mt -110.22 108.96 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.3 m -114.53 135.64 53.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.549 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -106.14 147.01 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mmt -108.17 121.96 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.81 106.35 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -95.85 103.02 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.893 HD12 HD21 ' A' ' 33' ' ' LEU . 12.1 tt -111.67 128.12 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -134.13 123.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.77 145.04 28.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 109.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 32.35 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t -154.76 151.06 28.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -62.43 160.63 31.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.5 40.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.7 m -112.33 114.59 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 m -85.09 106.79 16.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 53' ' ' ALA . 15.1 mt -108.65 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -87.21 116.4 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.5 t -131.78 128.57 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.17 151.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.549 ' CG ' HG21 ' A' ' 65' ' ' VAL . 2.1 tpt -55.91 -26.45 47.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.36 -25.65 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.7 9.47 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 68' ' ' VAL . 15.2 t80 -66.16 -56.63 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 92' ' ' ILE . 10.9 tp -56.46 -47.86 78.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.28 -48.02 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.5 t -55.3 -49.02 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -60.3 -42.58 95.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -57.3 -50.37 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.03 -30.0 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.893 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -63.16 -45.29 92.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.28 -21.44 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -56.83 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.472 HD11 HG13 ' A' ' 44' ' ' VAL . 11.2 tt -60.56 -38.0 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.3 tp -59.25 -27.84 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -103.8 29.55 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -121.78 -5.79 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 51.75 30.33 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -103.53 94.23 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -85.12 -16.32 40.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.82 -27.71 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 36' ' ' ILE . 14.8 p -91.14 -16.21 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmm -52.89 -50.47 63.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptp -51.84 -47.11 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.11 -37.15 86.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' HD23 ' A' ' 33' ' ' LEU . 62.8 t80 -65.78 -43.54 88.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.6 mt -68.11 -41.59 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.2 m -73.44 -26.37 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -75.95 -48.0 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.87 -56.12 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -76.41 131.1 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -68.53 152.14 45.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.5 p -115.4 -26.59 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 154.76 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.759 ' CZ ' HG21 ' A' ' 64' ' ' THR . 19.4 m-85 -118.72 138.43 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.049 HG13 HG12 ' A' ' 79' ' ' VAL . 87.2 t -131.12 116.18 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.76 132.28 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -143.48 109.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.4 112.93 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.52 62.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -97.62 -9.42 26.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 63.59 53.15 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.429 HD22 ' HG3' ' A' ' 105' ' ' LYS . 7.9 mt -127.64 136.34 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.33 131.64 36.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.62 106.78 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.049 HG12 HG13 ' A' ' 68' ' ' VAL . 33.5 m -104.12 131.47 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 t -150.16 104.18 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 92' ' ' ILE . 18.1 p90 -131.37 175.15 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -51.11 146.38 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.26 86.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.0 pt -83.93 -174.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.86 153.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.16 -41.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -51.61 -41.7 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -77.08 -34.5 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -56.9 -47.18 81.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.15 -41.4 71.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.82 -55.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.602 ' CG1' HD13 ' A' ' 27' ' ' LEU . 5.2 mt -57.67 -40.55 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.9 -40.16 91.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.2 71.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 m -62.38 -46.92 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.31 72.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.94 -34.26 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -28.43 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 37' ' ' ILE . 13.8 m-85 -55.82 -21.48 19.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -47.18 -30.13 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -50.82 -37.32 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -128.14 25.2 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -174.61 79.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -51.33 -30.07 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HG3' HD22 ' A' ' 76' ' ' LEU . 3.5 tmtt? -77.31 89.26 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' GLY . 92.6 t -126.78 130.72 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -132.15 137.41 47.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.485 HG22 HG22 ' A' ' 79' ' ' VAL . 36.5 p -134.14 135.23 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.741 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -96.45 108.32 20.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.63 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 p -111.6 164.39 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.26 141.61 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.7 mmt -100.79 117.28 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.96 106.44 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -94.69 103.59 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.845 HD12 HD21 ' A' ' 33' ' ' LEU . 14.9 tt -110.82 127.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.13 95.19 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ttp -51.9 161.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 118.6 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.36 52.93 45.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 p -153.9 141.07 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.828 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -51.74 156.85 2.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 139.69 40.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.9 m -116.81 115.48 25.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -84.77 106.9 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.9 mt -110.14 102.71 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.12 105.94 15.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.25 131.84 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.577 HG13 ' H ' ' A' ' 25' ' ' ARG . 9.4 p -51.92 156.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.425 ' HB2' HG11 ' A' ' 65' ' ' VAL . 3.8 ttt -66.58 -35.7 80.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.01 -25.59 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.577 ' H ' HG13 ' A' ' 22' ' ' VAL . 10.4 mtt180 -121.49 14.6 11.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.41 -56.6 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD11 ' HG3' ' A' ' 88' ' ' MET . 0.9 OUTLIER -55.93 -46.17 78.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.19 -47.53 84.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t -55.65 -49.68 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -60.19 -42.47 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.9 m -57.1 -50.38 72.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.03 -34.04 77.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -61.97 -43.43 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.484 ' O ' HG22 ' A' ' 37' ' ' ILE . 15.9 t80 -58.14 -21.98 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -61.62 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.0 tt -52.88 -33.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.8 tp -57.93 -28.99 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.15 -29.41 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -104.32 150.33 24.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -104.63 50.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.77 115.84 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.04 -26.02 27.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.45 -35.21 75.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.42 -24.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -51.98 59.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 ptm -52.13 -47.07 65.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.04 -37.28 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 69.2 t80 -67.08 -53.44 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 44.0 mt -55.18 -44.23 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -73.36 -29.9 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -64.94 -47.8 76.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -85.33 -57.68 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -72.89 110.96 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 mttt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 118.88 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.741 ' HB ' HD12 ' A' ' 3' ' ' LEU . 7.3 p -116.76 -23.91 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 115.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.63 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 79' ' ' VAL . 73.2 t -131.07 132.2 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.7 122.78 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' SD ' ' A' ' 77' ' ' MET . 49.9 t -135.39 109.94 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -133.26 95.95 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -65.25 -23.04 66.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.5 -52.76 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -98.04 9.55 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt 51.63 43.59 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.37 115.43 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.457 ' SD ' HG13 ' A' ' 70' ' ' VAL . 8.9 mmt -126.28 124.22 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -141.06 152.63 44.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 108' ' ' THR . 0.1 OUTLIER -144.03 127.95 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 105.63 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.66 ' CE2' HG21 ' A' ' 92' ' ' ILE . 11.6 p90 -131.35 170.22 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -51.69 128.6 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.78 106.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 92' ' ' ILE . 31.1 pt -103.61 -175.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.53 147.52 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.12 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -51.78 -46.0 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.454 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -76.92 -27.95 55.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -56.8 -41.84 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.33 -55.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 84' ' ' ILE . 83.1 mt -57.57 -55.37 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -54.75 -34.76 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.68 58.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 m -60.47 -35.08 75.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.636 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -77.85 -47.55 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 106' ' ' VAL . 21.8 mt-10 -65.82 -24.5 66.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -61.38 -26.48 67.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -55.42 -25.95 38.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.81 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -52.99 -37.39 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -22.15 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.43 50.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -130.35 135.97 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -64.03 108.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 96' ' ' ALA . 9.3 p -112.58 129.28 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -135.26 109.91 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 79' ' ' VAL . 27.0 p -101.18 153.65 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.6 mm? -93.49 107.91 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.49 144.74 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -113.73 150.03 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.88 113.48 25.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.62 106.27 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -92.53 106.84 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -118.41 131.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.2 104.87 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ttt -51.86 169.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.21 102.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.07 58.35 14.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -126.96 -79.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 177.22 156.32 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.58 13.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 9' ' ' ILE . 82.2 m -121.72 107.42 12.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.07 106.79 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -105.69 106.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -84.97 126.17 33.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.9 t -139.97 130.05 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 m -58.71 151.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.584 ' HB2' HG11 ' A' ' 65' ' ' VAL . 11.7 ttp -55.08 -33.91 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.25 -24.25 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.2 mtt85 -114.07 19.16 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -56.24 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.615 HD11 HG12 ' A' ' 91' ' ' VAL . 21.1 tp -56.91 -47.15 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.5 t -59.56 -49.86 76.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.62 -42.26 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -58.49 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.2 -33.84 76.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' C ' HG22 ' A' ' 37' ' ' ILE . 35.4 t80 -58.44 -21.96 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.36 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 33' ' ' LEU . 12.8 tt -54.72 -36.75 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.468 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -61.75 -28.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.46 -36.66 74.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -95.64 158.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -102.81 48.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -88.1 107.24 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.8 m -81.19 -51.29 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -55.79 -26.17 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.76 -23.86 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -56.05 -52.12 65.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.42 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.3 tpt -54.72 -56.76 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.21 -36.25 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -68.05 -44.74 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.8 mt -62.21 -41.08 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.5 m -78.44 -26.11 46.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -70.29 -47.92 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -88.5 -49.33 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -93.16 145.09 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.28 131.21 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -105.63 -22.16 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.01 154.61 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.9 137.21 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.02 119.54 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.33 130.68 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -146.8 110.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -131.01 111.45 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.96 55.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.98 -52.83 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -88.31 1.4 54.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 51.78 51.52 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.58 123.08 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.99 122.46 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.81 154.34 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 108' ' ' THR . 0.2 OUTLIER -138.49 133.03 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.36 98.06 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.629 ' HD2' HG21 ' A' ' 84' ' ' ILE . 5.1 m-85 -97.14 134.82 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -126.61 131.54 51.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.49 63.19 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.629 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.4 pt -130.96 178.48 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -97.97 160.21 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.07 -40.77 59.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.74 -51.84 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -27.87 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -56.92 -31.48 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -60.49 -55.12 37.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 HD11 ' A' ' 27' ' ' LEU . 50.6 t -64.15 -50.16 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' CE2' ' A' ' 81' ' ' PHE . 22.8 mt -55.49 -50.04 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -59.06 -49.34 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.05 -48.66 70.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -59.02 -53.89 53.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.26 -26.38 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.02 -42.01 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -29.32 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.6 m-85 -57.3 -23.74 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -51.15 -30.46 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -51.84 -40.55 60.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.04 25.97 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.58 83.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -51.48 -50.85 59.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.57 88.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.72 124.74 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.9 118.08 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 HG21 ' A' ' 79' ' ' VAL . 60.6 p -110.14 116.67 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 65' ' ' VAL . 8.0 mp -74.77 140.21 43.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' VAL . 73.5 m -141.38 165.45 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -125.95 144.78 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.32 140.6 32.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.87 106.38 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -94.75 97.87 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 10.7 tt -103.09 129.34 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -133.48 94.91 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 148.33 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 121.95 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 49.93 12.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 m -160.03 179.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.97 160.74 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.44 17.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 9' ' ' ILE . 95.1 m -110.55 119.3 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 mt -107.55 125.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 p -104.12 125.45 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 29' ' ' SER . 46.9 t -126.72 137.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 25' ' ' ARG . 6.0 m -53.07 156.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.788 ' HG3' HG11 ' A' ' 65' ' ' VAL . 1.6 tmt? -73.22 -11.49 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.34 -17.15 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' H ' HG23 ' A' ' 22' ' ' VAL . 17.3 tpp180 -124.31 9.2 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -54.28 -37.13 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 88' ' ' MET . 10.3 tp -68.18 -52.2 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.95 -43.96 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 21' ' ' VAL . 99.6 p -63.65 -47.77 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.74 -42.77 93.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -61.48 -52.33 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.39 -35.44 75.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -64.3 -44.18 92.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.507 ' O ' HG22 ' A' ' 37' ' ' ILE . 13.2 t80 -57.55 -21.91 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -60.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG22 ' HA ' ' A' ' 33' ' ' LEU . 19.2 tt -54.67 -33.04 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.2 tp -56.1 -27.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.26 -25.44 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -95.58 166.05 12.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.97 43.2 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.4 93.4 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -81.02 -28.86 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.41 -33.43 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.78 -16.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.2 mtp -52.91 -50.58 63.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -51.86 -47.12 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -58.48 -38.88 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CE2' HD23 ' A' ' 33' ' ' LEU . 33.9 t80 -65.06 -52.67 54.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 45' ' ' MET . 3.1 mt -60.02 -40.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 m -74.26 -26.2 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -78.41 -48.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -80.01 -54.84 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.48 143.25 32.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -110.09 131.99 54.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.788 HG11 ' HG3' ' A' ' 23' ' ' MET . 35.0 m -111.29 -16.47 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.85 169.19 29.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 69' ' ' VAL . 15.1 t80 -137.11 133.18 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.841 HG13 HG12 ' A' ' 79' ' ' VAL . 86.7 t -111.73 126.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 67' ' ' PHE . 21.8 t -105.55 117.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.0 t -128.01 109.85 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -122.43 99.06 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.71 -28.69 63.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -71.61 -52.69 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -80.81 -11.73 59.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 63.92 52.85 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.32 122.48 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.14 122.78 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -141.5 107.49 5.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.841 HG12 HG13 ' A' ' 68' ' ' VAL . 12.9 m -93.93 137.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 t -126.25 96.77 4.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.434 ' CE2' HD13 ' A' ' 92' ' ' ILE . 8.8 m-85 -103.07 135.41 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -139.44 145.33 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.39 55.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.406 HD11 ' HG2' ' A' ' 89' ' ' LYS . 23.3 pt -128.97 159.87 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.34 154.01 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.91 -29.91 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.1 -47.26 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.417 ' CG ' HD22 ' A' ' 27' ' ' LEU . 2.0 tpp -57.7 -28.05 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HG2' HD11 ' A' ' 84' ' ' ILE . 13.8 mtpp -56.92 -37.4 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.9 -55.1 38.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.69 -56.03 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 ' CE2' ' A' ' 81' ' ' PHE . 54.2 mt -53.66 -47.72 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -58.02 -41.79 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.02 94.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -62.78 -43.32 99.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.16 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.47 -31.52 62.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -61.09 -26.72 67.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.9 m-85 -56.51 -23.21 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HG2' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -49.77 -29.8 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -50.69 -44.12 57.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -127.27 26.26 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.38 88.51 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -60.5 -25.09 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -102.35 95.18 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.67 HG11 ' HG2' ' A' ' 100' ' ' LYS . 7.4 p -133.4 145.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -151.02 149.95 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 19.1 p -141.87 127.27 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.434 ' C ' HD22 ' A' ' 3' ' ' LEU . 1.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.784 0.326 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.682 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -116.91 143.78 45.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.489 ' C ' HG12 ' A' ' 65' ' ' VAL . 13.8 p -145.77 147.77 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.72 141.33 35.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 mmt -94.01 108.86 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' A' ' 70' ' ' VAL . 1.6 t80 -98.04 106.4 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -94.33 107.5 19.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.034 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -113.86 129.03 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.14 93.38 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 154.09 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 108.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 45.01 6.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -152.99 153.64 33.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -66.6 160.85 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 121.69 8.38 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' ' 9' ' ' ILE . 86.9 m -101.26 112.93 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.22 106.71 14.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.433 HG12 HG23 ' A' ' 49' ' ' ILE . 21.8 mt -106.48 108.19 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.84 125.04 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' A' ' 25' ' ' ARG . 20.4 t -124.92 151.05 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.21 154.34 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.445 ' SD ' HG11 ' A' ' 65' ' ' VAL . 6.9 tpt -61.43 -17.99 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.95 4.73 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 tpp180 -119.98 -12.31 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.6 -37.53 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.73 -53.59 38.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.88 -43.17 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.93 -42.49 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -59.28 -50.66 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.59 -30.18 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -64.92 -45.96 83.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' C ' HG22 ' A' ' 37' ' ' ILE . 21.2 t80 -58.09 -21.42 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.65 -61.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -56.36 -39.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.502 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.3 tp -52.61 -29.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.27 -25.96 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -107.29 -173.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -125.28 26.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.8 102.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.03 -28.98 25.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -71.8 -25.02 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -88.22 -19.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 mtp -52.97 -51.97 59.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 ptm -51.83 -47.76 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -38.1 82.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.02 -53.77 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 6.2 mt -54.98 -43.57 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -74.5 -28.51 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -65.8 -47.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -87.09 -56.09 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -77.59 145.93 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.08 124.25 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.682 ' HB ' HD12 ' A' ' 3' ' ' LEU . 14.5 p -116.91 -19.0 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.47 166.56 39.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.87 144.2 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG13 ' A' ' 79' ' ' VAL . 51.0 t -131.06 118.14 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.46 115.48 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' HE1' ' A' ' 7' ' ' TYR . 97.8 t -130.01 110.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -132.14 105.38 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.627 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -70.78 -23.75 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -64.67 -52.93 54.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -98.74 6.8 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 53.13 13.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.99 125.15 53.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 122.84 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -141.56 146.14 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.59 128.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.59 112.39 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' HE2' HG21 ' A' ' 92' ' ' ILE . 16.8 m-85 -115.51 155.92 26.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.41 121.34 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.32 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -126.85 148.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.1 156.45 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.01 -60.13 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -33.59 67.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -36.35 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -56.93 -37.25 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.11 -55.07 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.75 -56.13 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 81' ' ' PHE . 65.1 mt -54.45 -48.36 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.23 -39.9 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.02 72.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -60.89 -36.67 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.63 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' HA ' HG11 ' A' ' 106' ' ' VAL . 4.2 tt0 -74.01 -34.31 64.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -26.76 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -56.55 -23.4 39.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.64 -31.42 10.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -52.95 -38.99 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -127.15 26.16 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.43 83.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -51.07 -30.86 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.77 86.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 97' ' ' GLU . 22.0 t -129.47 125.77 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -135.78 109.94 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.32 137.06 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.828 0.347 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.789 HD22 HG12 ' A' ' 65' ' ' VAL . 67.4 mt -83.38 107.44 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' HG22 ' A' ' 65' ' ' VAL . 20.1 p -119.56 161.42 20.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.03 140.37 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 132.17 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -134.81 106.4 6.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -94.05 93.64 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.967 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -99.6 130.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.11 146.34 50.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 ttt -114.97 165.67 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 117.97 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.77 37.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -160.08 131.16 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.54 157.21 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.93 15.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -97.75 119.05 35.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.47 106.81 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -107.37 130.63 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 m -105.82 111.69 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.807 HG11 ' HB3' ' A' ' 29' ' ' SER . 21.4 t -118.42 129.26 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG22 ' H ' ' A' ' 24' ' ' ASP . 9.4 p -51.94 146.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.559 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -55.59 -37.94 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 22' ' ' VAL . 26.4 t0 -63.7 -16.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.16 19.27 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -56.56 18.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 HG22 ' A' ' 91' ' ' VAL . 30.9 tp -60.27 -50.92 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.91 -51.0 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.807 ' HB3' HG11 ' A' ' 21' ' ' VAL . 60.6 p -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 6.5 t80 -61.45 -42.13 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -58.76 -47.61 84.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -33.31 74.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.94 -44.12 93.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.91 -21.84 58.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -59.73 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.5 tt -55.76 -34.37 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.587 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.1 tp -67.62 -25.81 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.31 -25.51 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.57 157.08 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -92.32 52.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.95 102.86 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -32.57 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.98 -25.76 61.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -81.42 -22.81 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.4 mmm -53.19 -52.02 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 tpt -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.09 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.25 -51.0 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 15.4 mt -54.91 -44.55 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t -75.37 -28.52 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -66.7 -48.09 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -86.33 -54.72 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.0 96.21 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 tttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.733 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -78.75 144.76 34.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.789 HG12 HD22 ' A' ' 3' ' ' LEU . 17.5 m -117.28 -0.83 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.81 158.24 8.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 64' ' ' THR . 27.1 m-85 -129.94 126.98 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 7' ' ' TYR . 98.5 t -115.62 111.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 t -94.3 115.36 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 68' ' ' VAL . 80.6 t -135.82 116.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -135.61 122.91 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -71.53 -35.33 70.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.3 -53.86 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -99.68 13.51 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.5 pttt 39.75 54.84 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' HG2' ' A' ' 105' ' ' LYS . 39.9 mt -112.36 134.81 53.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -133.83 116.19 15.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -139.52 125.61 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 m -115.42 108.96 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -105.93 98.24 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -100.64 135.67 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -73.73 -169.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -51.55 103.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.571 HD11 ' HD3' ' A' ' 89' ' ' LYS . 3.7 pt -129.5 -178.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.2 160.02 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.1 -40.18 60.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.74 -54.08 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.554 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -65.91 -27.75 68.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.571 ' HD3' HD11 ' A' ' 84' ' ' ILE . 3.3 tppp? -58.93 -25.76 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -55.49 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.435 HG22 HD11 ' A' ' 27' ' ' LEU . 5.8 p -63.96 -33.81 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' HG2' ' A' ' 88' ' ' MET . 58.0 mt -69.94 -56.08 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -59.83 -33.28 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.29 47.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.4 m -62.35 -34.26 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.19 56.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.37 -33.98 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -31.03 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 37' ' ' ILE . 21.4 m-85 -56.96 -23.48 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.79 -31.03 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -51.63 -41.04 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 26.2 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -160.51 83.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -51.75 -29.85 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HG2' HD22 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -84.81 91.73 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 103' ' ' GLY . 94.4 t -121.37 122.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -129.55 159.01 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 p -147.31 159.88 43.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.348 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.05 109.46 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.71 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.0 p -107.22 156.03 19.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -123.77 149.15 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.2 mmt -107.97 110.34 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -104.77 106.3 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -91.1 119.47 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.987 HD12 HD21 ' A' ' 33' ' ' LEU . 12.4 tt -125.51 123.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.09 97.69 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.566 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -54.53 173.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.532 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.49 -65.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.85 64.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -160.71 151.57 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -68.3 160.77 73.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.63 30.91 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.727 HG21 HD13 ' A' ' 49' ' ' ILE . 70.7 m -118.27 122.05 41.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.02 106.67 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.0 mt -102.77 104.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -81.2 114.97 20.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 40.0 t -129.85 132.37 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 25' ' ' ARG . 27.5 m -57.17 155.76 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.644 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.7 ptt? -60.71 -22.47 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.75 -26.04 59.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.7 18.35 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.34 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -48.96 79.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -52.96 -51.12 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -57.76 -47.47 82.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' HE2' HG12 ' A' ' 79' ' ' VAL . 1.4 t80 -61.37 -42.23 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -58.91 -51.31 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.28 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.987 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.47 -21.69 64.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.47 -57.68 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -59.85 -37.84 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -59.28 -28.55 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.6 -25.93 64.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.22 -174.75 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.3 29.57 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -77.97 101.12 6.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -26.85 26.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -73.64 -24.67 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -87.0 -19.33 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mmm -52.85 -52.13 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -53.59 -44.07 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.49 -38.02 83.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.97 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.727 HD13 HG21 ' A' ' 17' ' ' THR . 9.5 mt -70.56 -39.85 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 t -74.42 -25.79 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.58 -48.02 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.86 -54.15 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -82.34 132.16 35.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -78.92 117.91 20.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 4' ' ' CYS . 11.1 p -97.91 -24.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.41 160.19 21.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.61 143.82 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.28 124.38 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.65 121.29 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.26 110.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -122.16 104.98 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' C ' ' A' ' 11' ' ' MET . . . -67.86 -38.87 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -52.62 -53.05 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -98.98 15.9 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp 38.6 55.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD22 ' HD2' ' A' ' 105' ' ' LYS . 58.8 mt -112.0 137.57 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.409 ' HE1' ' H ' ' A' ' 105' ' ' LYS . 3.8 mpp? -134.69 120.61 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' CG2' HG22 ' A' ' 108' ' ' THR . 33.8 m -115.64 130.83 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.8 m -130.22 96.9 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.743 ' CE2' HD13 ' A' ' 92' ' ' ILE . 7.8 m-85 -100.32 136.28 40.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.7 m -130.75 131.37 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.34 61.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.553 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.0 pt -127.29 175.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 159.83 19.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.96 -40.74 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.35 -52.5 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.505 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -57.15 -28.68 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -57.77 -39.21 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -55.09 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.2 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.743 HD13 ' CE2' ' A' ' 81' ' ' PHE . 59.5 mt -54.95 -38.54 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -65.69 -42.96 90.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.93 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -49.39 77.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.84 -27.95 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -74.26 -40.27 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -54.5 -31.0 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.1 m-85 -56.13 -25.33 45.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -14.31 60.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -85.18 -11.56 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -120.37 -22.06 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.96 -26.31 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 59.02 21.31 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HD2' HD22 ' A' ' 76' ' ' LEU . 2.1 tmtp? -144.13 79.25 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 96' ' ' ALA . 10.3 p -116.84 136.6 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -139.84 118.99 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.569 HG22 ' CG2' ' A' ' 79' ' ' VAL . 19.6 p -107.57 137.28 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.533 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.87 0.367 . . . . 0.0 111.142 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 2' ' ' THR . 4.2 mm? -126.17 118.93 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.98 162.38 17.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -125.94 152.11 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mmt -107.98 122.11 46.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -105.68 145.9 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -131.92 92.81 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.938 HD12 HD11 ' A' ' 33' ' ' LEU . 11.8 tt -102.61 130.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 93.02 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.453 ' SD ' HG23 ' A' ' 42' ' ' THR . 10.2 ttt -52.37 166.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.51 117.29 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.88 53.63 39.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -153.51 140.34 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -52.19 160.67 1.17 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.42 14.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 HG21 ' CD1' ' A' ' 49' ' ' ILE . 96.8 m -105.53 115.79 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 106.82 17.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -108.43 110.13 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.32 130.13 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.03 137.67 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 25' ' ' ARG . 26.8 m -59.89 160.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -13.0 60.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.2 -24.53 32.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.6 ' H ' HG23 ' A' ' 22' ' ' VAL . 4.2 mpt_? -121.38 12.34 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 3.7 t80 -64.84 -55.56 18.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 92' ' ' ILE . 8.9 tp -55.31 -42.83 74.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.06 -50.49 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.01 -44.23 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.05 -42.73 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -57.27 -50.55 72.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.39 -39.59 74.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -53.93 -41.94 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.41 -21.09 66.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -29.75 27.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 tt -91.34 -31.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -59.31 -21.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.81 -24.91 55.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -79.79 179.15 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -115.87 -20.45 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HB2' HG23 ' A' ' 44' ' ' VAL . 1.7 p30 -51.05 103.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 HG23 ' SD ' ' A' ' 11' ' ' MET . 1.5 m -85.02 -22.05 29.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.92 -13.8 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 41' ' ' ASP . 47.2 t -88.58 -23.91 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.2 mmm -53.03 -51.9 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptm -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.8 -36.86 83.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.36 -40.45 89.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 10.5 mt -73.45 -37.45 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.1 t -76.47 -25.05 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -82.02 -46.31 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -81.21 -50.58 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -90.54 135.69 33.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.8 m -103.04 125.54 49.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.98 -21.84 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.37 -169.4 33.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -149.98 161.06 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 79' ' ' VAL . 85.7 t -131.31 132.44 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.4 t -104.26 125.67 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.3 t -139.41 122.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -138.41 119.45 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.84 -25.43 35.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -67.07 -52.79 37.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.68 4.37 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 51.84 59.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.545 HD23 ' CD ' ' A' ' 105' ' ' LYS . 4.3 mt -117.59 122.17 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -132.37 111.32 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 m -141.58 108.57 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 68' ' ' VAL . 17.2 m -98.76 136.33 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m -141.52 107.17 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -130.9 161.47 31.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -54.93 170.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.0 107.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 81' ' ' PHE . 38.1 pt -90.58 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.32 177.63 8.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.13 -60.09 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.71 -47.18 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.485 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.4 OUTLIER -57.29 -38.72 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -56.81 -40.05 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -60.56 -55.09 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.73 -56.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 27' ' ' LEU . 10.3 mt -53.82 -42.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -41.56 98.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.21 -50.15 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -60.83 -48.94 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.12 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -29.17 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CE1' HG21 ' A' ' 37' ' ' ILE . 3.7 m-85 -57.42 -23.24 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -31.82 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -51.96 -37.97 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -127.31 26.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.52 80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -50.67 -31.13 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.545 ' CD ' HD23 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -73.14 77.51 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 p -113.14 138.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.54 147.3 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 32.7 p -146.16 131.41 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.824 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.7 mt -106.68 107.54 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 55.5 m -107.52 162.49 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -125.69 155.4 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 108.84 18.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.38 106.37 16.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -94.14 121.53 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -129.98 127.32 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 92.45 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.467 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 13.8 ttp -51.92 168.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 107.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.72 49.43 23.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.9 t -146.22 136.93 24.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -51.6 157.01 1.98 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 HG21 ' CD1' ' A' ' 49' ' ' ILE . 90.0 m -80.46 120.61 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 106.86 17.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.8 mt -111.17 103.52 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.58 120.22 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 29' ' ' SER . 26.2 t -130.48 130.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 24' ' ' ASP . 10.8 p -55.53 151.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.803 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -57.35 -33.52 67.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -70.88 -9.47 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HB2' HG12 ' A' ' 21' ' ' VAL . 61.3 mtt180 -118.38 17.32 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -53.63 23.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.608 HD21 ' CG1' ' A' ' 91' ' ' VAL . 0.1 OUTLIER -55.74 -52.25 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.0 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 21' ' ' VAL . 28.6 t -53.38 -56.65 15.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -42.06 97.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -54.01 -44.03 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -80.02 -33.16 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' C ' HG22 ' A' ' 37' ' ' ILE . 18.0 t80 -59.11 -21.74 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.13 -60.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 tt -56.9 -38.15 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.497 HD13 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -57.8 -28.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -72.36 -28.39 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -94.2 164.57 12.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.93 44.66 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -89.65 106.5 18.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.02 -28.76 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.81 -36.04 72.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.64 -24.3 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtp -53.15 -51.96 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.8 tpp -53.75 -54.03 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.14 -35.46 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.15 -44.27 80.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.508 ' CD1' HG21 ' A' ' 17' ' ' THR . 10.0 mt -65.12 -40.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -76.26 -26.67 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -73.8 -44.08 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.09 -55.55 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -84.68 146.61 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 tttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.59 126.3 31.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -117.47 -11.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.29 147.55 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -134.07 142.87 47.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.528 HG13 HG12 ' A' ' 79' ' ' VAL . 69.3 t -130.81 117.25 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.9 t -95.34 116.06 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 37' ' ' ILE . 99.7 t -123.73 112.32 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -125.51 111.66 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -76.61 -39.74 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.51 -52.66 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -82.97 -14.86 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 mttm 63.61 54.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 105' ' ' LYS . 9.7 mt -122.88 124.15 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.46 ' SD ' HG13 ' A' ' 70' ' ' VAL . 18.1 mmt -122.1 120.07 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -141.63 133.99 28.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 108' ' ' THR . 17.7 m -126.12 136.34 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.9 m -135.85 96.92 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' HD13 ' A' ' 92' ' ' ILE . 10.1 m-85 -99.96 135.65 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.43 125.95 49.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.83 86.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 pt -138.74 -178.4 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.04 167.22 11.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.07 -36.13 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.1 -26.45 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.601 ' CG ' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -77.11 -40.44 45.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -63.45 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -70.21 -55.72 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.608 ' CG1' HD21 ' A' ' 27' ' ' LEU . 7.4 p -63.61 -38.37 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.49 HD11 ' HG2' ' A' ' 88' ' ' MET . 76.3 mt -67.99 -43.12 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.57 -38.96 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.84 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.0 m -61.18 -41.73 97.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.55 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.576 ' HA ' HG11 ' A' ' 106' ' ' VAL . 14.9 mm-40 -68.29 -31.49 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.13 -26.7 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -56.12 -23.45 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -49.96 -30.79 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -54.43 -38.04 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -127.11 26.09 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -179.4 83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -50.81 -30.47 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 76' ' ' LEU . 5.8 tmtt? -70.12 83.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 97' ' ' GLU . 53.1 t -126.14 126.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -133.74 146.57 50.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.608 HG22 HG22 ' A' ' 79' ' ' VAL . 25.4 p -138.46 145.38 40.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.813 0.339 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.485 HD12 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mm? -96.27 107.61 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' C ' HG12 ' A' ' 65' ' ' VAL . 26.5 p -112.24 150.4 30.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -116.79 145.03 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 129.83 45.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 2.0 t80 -124.83 106.24 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -94.07 100.24 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.94 HD12 HD11 ' A' ' 33' ' ' LEU . 11.1 tt -111.0 127.9 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -134.1 95.78 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.63 174.25 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.09 101.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.08 32.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -133.02 11.76 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.03 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.53 16.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.46 ' HB ' HG23 ' A' ' 9' ' ' ILE . 97.3 m -115.91 115.02 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.96 106.86 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.3 mt -110.61 118.43 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.63 130.24 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.64 134.78 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.9 t -55.89 148.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.683 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.7 ptm -52.93 -33.36 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 43.3 t0 -76.35 -29.68 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -97.03 9.19 42.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.88 -56.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CG1' ' A' ' 92' ' ' ILE . 13.3 tp -55.79 -42.35 75.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.94 -49.64 73.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -54.62 -46.3 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.38 -42.56 96.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -55.91 -51.05 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.25 -38.93 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 9' ' ' ILE . 1.4 tp -54.24 -40.64 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -67.76 -20.79 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.57 -29.37 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.51 -32.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -23.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.99 -25.48 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.74 179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -123.1 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.589 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.8 p-10 -51.85 129.13 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.11 -18.6 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.32 -22.58 53.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 41' ' ' ASP . 14.6 p -89.78 -27.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mtp -56.42 -52.15 65.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.27 -58.76 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.82 -35.88 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 33' ' ' LEU . 57.1 t80 -66.84 -52.04 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 8.7 mt -55.2 -45.13 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.01 -28.33 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.24 -47.96 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.41 -56.6 3.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -75.31 117.21 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD3' HD21 ' A' ' 3' ' ' LEU . 11.1 ptmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.86 129.47 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 23' ' ' MET . 10.6 p -102.78 -21.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.66 162.58 28.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -136.11 140.3 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.727 HG13 HG12 ' A' ' 79' ' ' VAL . 80.2 t -131.15 127.07 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -106.4 115.96 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 77' ' ' MET . 90.1 t -127.43 117.08 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -131.94 105.09 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.73 -23.64 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.04 -50.81 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -98.6 19.66 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 38.71 47.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.0 mt -103.63 127.61 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 70' ' ' VAL . 13.2 mmt -137.85 111.64 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -141.53 127.12 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.727 HG12 HG13 ' A' ' 68' ' ' VAL . 21.9 m -123.97 123.69 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.65 102.6 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 10.5 p90 -126.98 173.07 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -51.64 151.93 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.6 101.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 92' ' ' ILE . 31.1 pt -97.54 -177.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.08 164.66 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.03 -32.6 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.1 -40.17 67.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.581 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.2 mtt -77.04 -33.08 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -56.93 -35.2 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.63 -55.06 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.73 -51.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.792 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 37.3 mt -55.31 -39.88 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -66.13 -45.91 79.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.97 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 m -59.24 -49.9 76.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.66 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -68.79 -36.57 78.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -63.35 -32.48 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.17 -23.79 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HG3' HG21 ' A' ' 106' ' ' VAL . 42.4 mttt -50.82 -30.76 15.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -51.86 -36.79 49.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -127.09 25.42 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.81 78.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -51.78 -29.93 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -72.98 77.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.463 HG21 ' HG3' ' A' ' 100' ' ' LYS . 53.1 t -112.71 128.85 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -138.06 111.16 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -109.36 121.99 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.697 HD22 ' CG1' ' A' ' 65' ' ' VAL . 40.3 mt -91.39 108.27 19.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.721 ' O ' HG22 ' A' ' 65' ' ' VAL . 31.2 p -118.74 169.37 9.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -136.58 161.84 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.5 mmt -107.24 133.69 51.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.25 106.38 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.14 107.74 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.009 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -118.8 122.22 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.98 123.38 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.0 152.26 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 114.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.2 47.04 7.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -168.22 136.12 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -51.78 156.93 2.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.1 69.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.601 HG21 HD13 ' A' ' 49' ' ' ILE . 98.2 m -120.87 118.84 30.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.49 106.8 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.6 mt -110.67 107.7 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.99 129.69 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.9 145.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 25' ' ' ARG . 5.7 m -52.06 158.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.675 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -74.33 -25.08 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.42 -25.55 54.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' H ' HG23 ' A' ' 22' ' ' VAL . 22.4 ttp180 -107.43 -8.53 16.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 5' ' ' ALA . 2.9 t80 -51.65 -46.46 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 91' ' ' VAL . 25.1 tp -55.77 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.81 -46.57 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.16 -49.32 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.92 -42.48 94.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -57.89 -48.7 79.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.54 -33.25 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.009 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -61.17 -43.82 98.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 37' ' ' ILE . 29.9 t80 -58.05 -21.66 46.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -61.23 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 33' ' ' LEU . 20.4 tt -53.74 -33.42 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.1 tp -55.88 -29.11 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -111.96 29.71 7.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.63 -4.98 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 52.04 30.01 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.0 94.37 7.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.8 p -85.03 -48.48 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.97 -27.9 61.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -87.86 -20.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.695 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.99 -52.19 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptp -52.08 -45.74 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -64.85 -42.22 95.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.15 -35.24 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.601 HD13 HG21 ' A' ' 17' ' ' THR . 46.0 mt -73.86 -48.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -69.08 -20.32 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -85.18 -46.46 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -80.35 -59.21 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -61.66 143.67 55.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HB3' HD23 ' A' ' 3' ' ' LEU . 73.7 tttt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -69.19 135.78 51.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 4' ' ' CYS . 6.1 m -113.94 -20.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.18 157.9 18.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -133.19 143.84 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG22 ' CG1' ' A' ' 79' ' ' VAL . 91.2 t -120.12 137.95 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.9 t -114.3 123.3 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 77' ' ' MET . 86.2 t -134.9 109.88 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -122.15 94.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -67.95 -43.91 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.35 -0.15 44.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm 56.73 51.62 10.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -128.64 123.75 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.517 ' HB2' HG22 ' A' ' 106' ' ' VAL . 12.4 mmt -116.77 130.77 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.48 154.66 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.502 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.19 136.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 m -134.56 96.91 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.723 ' CE2' HD13 ' A' ' 92' ' ' ILE . 5.5 m-85 -104.31 135.12 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -134.88 135.04 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.32 64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.99 169.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.68 160.15 26.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.8 -41.93 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -60.29 -44.47 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.517 ' HG2' HD11 ' A' ' 92' ' ' ILE . 1.8 ttt -62.48 -32.83 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -60.57 -25.8 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -70.09 -55.42 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 7.6 p -65.73 -37.43 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.723 HD13 ' CE2' ' A' ' 81' ' ' PHE . 58.4 mt -67.4 -49.76 68.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -62.42 -41.04 98.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.34 -49.59 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -61.31 -40.25 93.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.82 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.5 -34.81 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.75 54.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.43 -23.1 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.75 -30.75 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -51.99 -29.98 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -117.31 -22.31 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -144.19 85.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.27 -28.94 13.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 77.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 77' ' ' MET . 95.0 t -116.83 143.29 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -138.74 110.02 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.0 p -105.87 119.75 39.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.826 0.346 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.77 HD12 HG22 ' A' ' 65' ' ' VAL . 4.3 mm? -79.31 107.57 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -130.55 172.0 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 155.25 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.44 122.47 42.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.08 106.48 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.39 111.91 23.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 9.4 tt -124.95 122.17 62.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.56 100.64 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.15 171.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.51 -30.49 20.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.34 61.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -141.66 17.47 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.86 43.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.0 m -130.04 117.58 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.12 106.77 18.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' A' ' 53' ' ' ALA . 14.4 mt -106.92 107.91 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.2 117.97 23.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.6 132.92 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 24' ' ' ASP . 35.9 t -51.98 145.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.658 ' HG3' HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -54.81 -31.17 58.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 22' ' ' VAL . 18.5 t0 -70.17 -27.4 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -110.62 15.62 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.77 -56.51 11.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 ' CG1' ' A' ' 92' ' ' ILE . 6.6 tp -57.42 -43.36 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.93 -51.02 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -54.81 -48.98 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.55 -42.24 98.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -56.28 -49.55 73.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.1 -34.03 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' C ' HG22 ' A' ' 37' ' ' ILE . 28.9 t80 -59.2 -21.32 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -57.84 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.7 tt -59.08 -34.12 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.524 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -61.68 -27.51 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.0 -25.53 66.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.18 164.82 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -112.44 44.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 m-20 -94.7 109.85 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -85.16 -21.22 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.76 -29.57 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 36' ' ' ILE . 10.5 p -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.4 mmm -52.93 -51.89 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.9 ptm -56.12 -45.75 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.7 -41.53 81.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' A' ' 33' ' ' LEU . 64.6 t80 -65.93 -48.77 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt -55.14 -48.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t -72.72 -27.76 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.08 -48.0 75.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -87.24 -57.2 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -71.07 128.01 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 3' ' ' LEU . 25.0 ttmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.924 0.393 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 128.97 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 3' ' ' LEU . 42.9 t -108.72 -23.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.83 160.32 24.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -127.48 140.65 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.079 HG13 HG12 ' A' ' 79' ' ' VAL . 90.2 t -126.83 106.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -89.42 115.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.458 HG23 HG12 ' A' ' 68' ' ' VAL . 72.7 t -132.01 109.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -126.15 118.95 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.07 -38.55 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -54.3 -53.07 58.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' LYS . 33.4 mttm -98.92 16.11 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 37.82 44.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.2 mt -102.97 115.22 30.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.13 95.29 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -122.27 115.89 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.079 HG12 HG13 ' A' ' 68' ' ' VAL . 22.6 m -108.22 135.05 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.8 t -150.21 107.34 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 92' ' ' ILE . 19.9 p90 -134.83 172.81 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.5 p -51.28 142.43 13.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.52 89.05 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' A' ' 92' ' ' ILE . 27.4 pt -83.63 -175.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.02 158.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.9 -42.09 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.17 -45.94 65.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.1 ttt -77.08 -39.42 49.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -56.73 -49.8 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -51.9 -44.44 63.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.405 HG12 HD11 ' A' ' 27' ' ' LEU . 65.9 t -62.3 -54.68 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 81' ' ' PHE . 19.3 mt -54.51 -48.39 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -58.28 -45.33 88.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -58.54 -48.41 80.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.73 -31.53 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.17 -35.32 68.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -56.84 -30.47 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.524 ' CE1' HG21 ' A' ' 37' ' ' ILE . 29.5 m-85 -57.45 -23.12 47.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -49.2 -31.47 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -51.57 -39.97 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -127.29 26.07 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.66 89.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -62.5 -17.26 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -109.85 81.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 96' ' ' ALA . 11.3 p -131.86 139.17 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.08 151.17 33.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 p -133.88 145.96 50.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.92 107.49 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.663 ' C ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -119.11 144.53 46.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' HG13 ' A' ' 65' ' ' VAL . . . -108.35 144.87 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.5 mmt -94.12 129.47 40.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.668 ' CE2' HG11 ' A' ' 68' ' ' VAL . 2.6 t80 -123.33 106.33 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -94.6 98.17 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.012 HD12 HD11 ' A' ' 33' ' ' LEU . 11.6 tt -105.48 129.09 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.24 116.68 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttp -75.83 167.66 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 120.29 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.67 53.44 38.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.7 m -149.45 175.48 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -92.42 160.73 34.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.0 m -83.21 116.92 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 106.87 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.576 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.2 mt -111.68 113.87 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.41 117.21 28.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 29' ' ' SER . 20.9 t -128.61 131.22 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' H ' ' A' ' 25' ' ' ARG . 16.8 m -57.92 147.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.618 ' HB2' HG11 ' A' ' 65' ' ' VAL . 2.3 ttp -56.28 -26.97 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.53 ' H ' HG23 ' A' ' 22' ' ' VAL . 9.5 tpp85 -113.82 12.31 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -68.05 -56.37 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 92' ' ' ILE . 15.3 tp -56.91 -45.03 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.29 -49.14 78.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.406 ' HB3' HG11 ' A' ' 21' ' ' VAL . 47.4 p -54.68 -46.06 74.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.84 -42.64 97.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -56.73 -50.19 72.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -70.96 -39.84 72.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.012 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -54.08 -41.47 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -67.07 -20.79 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.32 -29.82 26.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.1 -32.05 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.462 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.1 tp -60.92 -23.72 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -52.19 -29.86 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.65 163.01 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.1 46.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -85.03 -23.9 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.65 -28.44 69.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 36' ' ' ILE . 14.5 p -90.91 -22.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.9 mtp -52.91 -52.04 59.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 49' ' ' ILE . 14.5 ptm -53.97 -46.79 71.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -58.67 -40.93 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HD12 ' A' ' 33' ' ' LEU . 58.6 t80 -66.75 -49.51 65.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 mt -54.99 -46.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -74.89 -27.27 60.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.79 -48.02 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.28 -54.59 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -78.71 111.51 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.777 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -76.32 142.35 41.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.663 HG12 ' C ' ' A' ' 4' ' ' CYS . 10.0 p -117.17 -16.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.35 159.9 23.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.777 ' CE2' HG21 ' A' ' 64' ' ' THR . 20.4 m-85 -127.3 132.79 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 7' ' ' TYR . 76.2 t -131.17 133.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.38 115.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.49 112.58 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -129.33 110.06 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.34 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -93.52 -13.6 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.636 ' O ' HD23 ' A' ' 76' ' ' LEU . 16.2 ttpt 63.51 57.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 75' ' ' LYS . 13.9 mt -140.88 118.8 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -127.35 98.44 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 151.36 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 108' ' ' THR . 17.7 m -146.31 128.26 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -147.22 96.72 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 7.6 p90 -120.66 172.6 7.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 t -51.29 144.6 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -62.28 104.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.606 HD12 ' CB ' ' A' ' 88' ' ' MET . 26.0 pt -100.86 -178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.08 165.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -75.06 -40.03 60.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.03 -53.08 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.606 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.6 mtp -57.42 -32.12 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -63.09 -25.75 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -69.75 -55.48 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.16 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.665 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 70.9 mt -67.43 -43.82 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.068 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -65.54 -41.33 93.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.14 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.5 m -61.13 -41.95 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.69 82.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.16 -34.16 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -62.72 -31.75 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' HG21 ' A' ' 37' ' ' ILE . 2.9 m-85 -56.05 -21.79 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.69 -28.59 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -51.34 -30.8 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -127.69 0.39 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.62 78.73 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -51.14 -30.11 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -72.35 79.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.17 134.63 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -142.09 136.72 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.6 p -132.29 148.72 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.0 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 63' ' ' LYS . 11.9 tp -121.02 140.48 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -145.98 161.82 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.662 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -118.42 145.34 45.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.8 mmt -93.96 123.17 37.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -113.03 110.3 20.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.51 118.87 34.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.053 HD12 HD21 ' A' ' 33' ' ' LEU . 10.8 tt -129.62 127.22 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -134.02 94.86 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 ttp -64.23 165.59 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.07 51.59 49.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -135.71 8.15 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 m80 62.38 160.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 85.1 m -115.16 118.13 32.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -86.96 106.76 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mt -108.15 114.52 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -88.04 123.89 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 26' ' ' PHE . 21.3 t -122.07 147.95 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.99 155.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -15.56 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -110.61 2.24 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -118.68 -16.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' HG11 ' A' ' 21' ' ' VAL . 2.9 p90 -48.98 -34.04 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -55.03 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.53 -41.75 77.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -61.58 -48.81 79.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' HZ ' HG11 ' A' ' 79' ' ' VAL . 1.4 t80 -59.75 -42.53 93.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 t -60.42 -49.93 75.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.66 -29.82 69.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -66.18 -46.31 77.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 16.2 t80 -57.53 -21.54 38.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -60.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.6 tt -55.12 -35.97 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.3 tp -53.67 -28.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -71.71 -35.25 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -83.48 -176.45 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -131.27 29.54 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.23 108.84 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -84.93 -55.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.3 -25.01 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.51 -20.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.419 ' HG2' HD11 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.9 -51.98 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.416 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.08 -40.35 73.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -61.46 -42.57 98.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -66.48 -48.67 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.4 mt -56.15 -47.07 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 t -73.84 -27.23 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -65.57 -47.92 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -87.98 -55.78 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.86 152.23 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 3' ' ' LEU . 39.6 tttm . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.742 HG21 ' CE1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -83.56 139.06 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.662 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 7.7 p -109.9 -5.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.18 156.34 8.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 64' ' ' THR . 18.5 m-85 -123.24 120.38 32.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.022 HG13 HG12 ' A' ' 79' ' ' VAL . 88.7 t -100.68 136.26 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.68 115.09 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG11 HD13 ' A' ' 37' ' ' ILE . 93.6 t -125.27 109.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -115.82 111.78 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.71 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.78 -51.19 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -98.68 -5.06 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 59.63 44.06 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.799 HD23 ' HG3' ' A' ' 105' ' ' LYS . 6.4 mt -103.26 134.59 46.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.459 ' CB ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -122.54 112.51 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -142.11 103.8 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 1.022 HG12 HG13 ' A' ' 68' ' ' VAL . 13.5 m -111.04 137.41 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.4 p -119.03 96.88 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.11 137.64 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -81.08 -173.45 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -52.7 107.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.78 179.73 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -70.49 151.53 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.44 -42.95 95.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -63.9 -49.21 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.38 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -56.64 -37.53 70.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -62.31 -52.97 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.59 -56.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt -57.3 -38.03 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.33 -35.87 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -49.69 31.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -60.76 -38.93 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.53 61.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.49 -32.0 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -54.33 -26.73 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -55.91 -23.19 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -48.62 -31.78 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -127.16 26.27 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.0 82.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -56.59 -21.64 28.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -95.92 70.2 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 77' ' ' MET . 13.7 p -120.64 135.08 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -146.0 147.2 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 79' ' ' VAL . 16.9 p -140.26 142.56 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.847 0.356 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.462 HD13 ' SD ' ' A' ' 23' ' ' MET . 19.8 mt -100.41 110.2 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 17.7 p -109.59 161.55 15.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.23 140.44 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.84 122.64 42.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -119.69 106.38 12.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -95.66 101.6 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.113 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -109.75 129.92 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.19 90.41 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.87 102.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.61 50.53 60.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -125.93 14.32 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.44 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.77 23.98 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.8 m -119.63 115.02 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.94 106.88 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -110.73 114.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -89.52 115.34 26.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG12 ' HB3' ' A' ' 25' ' ' ARG . 41.6 t -121.96 137.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.84 148.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.677 ' HG3' HG11 ' A' ' 65' ' ' VAL . 7.3 ttp -52.95 -52.84 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.8 -25.88 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' HG12 ' A' ' 21' ' ' VAL . 19.1 tpp180 -91.64 7.57 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.15 -55.85 21.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' HG3' ' A' ' 88' ' ' MET . 19.4 tp -55.74 -38.92 70.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.41 -50.41 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -48.93 76.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -57.81 -50.73 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.89 -30.5 69.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.15 -45.46 88.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' C ' HG22 ' A' ' 37' ' ' ILE . 23.7 t80 -58.57 -21.54 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.47 -61.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -38.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.5 tp -55.44 -29.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -95.69 31.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.23 150.93 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -87.94 54.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.58 87.21 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.5 p -84.99 -50.96 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.11 -23.32 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.37 -15.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -52.9 -52.06 59.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -55.65 -45.93 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.5 -36.06 82.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.2 mt -71.41 -38.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 t -76.62 -25.2 53.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -79.35 -48.06 14.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.12 -50.12 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -91.69 170.19 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.822 0.344 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 102.14 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' HG3' ' A' ' 23' ' ' MET . 10.1 p -77.2 -15.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.6 158.03 17.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -131.74 146.26 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 HG12 ' A' ' 79' ' ' VAL . 68.8 t -131.1 121.66 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -97.17 115.45 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.58 115.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -130.01 118.33 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.81 -55.05 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.13 -51.15 70.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -74.53 -20.45 59.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 76' ' ' LEU . 50.6 mmtt 61.37 60.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 75' ' ' LYS . 10.8 mt -131.97 128.17 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.963 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.23 116.96 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -141.45 127.18 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.621 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.2 m -120.84 122.04 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -136.67 96.93 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.73 ' CE2' HD13 ' A' ' 84' ' ' ILE . 24.5 p90 -141.04 152.71 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -123.19 -175.54 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.71 60.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.73 HD13 ' CE2' ' A' ' 81' ' ' PHE . 6.9 pt -143.86 177.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.93 161.79 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.94 -41.08 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -65.48 -26.35 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.613 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -70.83 -27.89 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -60.8 -25.7 66.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -65.26 -55.73 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.77 -36.09 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' HZ ' ' A' ' 81' ' ' PHE . 31.7 mt -67.75 -47.7 78.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -64.52 -43.46 93.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.15 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -63.22 -37.55 87.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.65 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -74.79 -36.89 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -53.91 -28.57 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.68 -23.54 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.656 ' HG2' HG21 ' A' ' 106' ' ' VAL . 2.6 mmmm -50.63 -30.99 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -52.94 -38.5 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 26.0 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -175.38 80.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -51.57 -30.36 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -75.04 85.04 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 100' ' ' LYS . 95.7 t -122.38 139.56 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -146.54 135.46 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.621 HG22 ' CG2' ' A' ' 79' ' ' VAL . 70.5 p -134.3 120.54 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.875 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.562 HD22 ' CG1' ' A' ' 65' ' ' VAL . 54.6 mt -120.74 107.7 13.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.707 ' O ' HG22 ' A' ' 65' ' ' VAL . 22.5 m -124.48 154.95 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 mmt -97.09 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.14 106.51 17.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.77 111.77 23.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.979 HD12 HD11 ' A' ' 33' ' ' LEU . 10.5 tt -120.73 130.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.05 87.53 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ttp -83.76 135.32 34.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 51.62 42.12 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.61 43.58 59.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 m -94.77 38.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.2 m80 64.48 153.65 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 98.15 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.3 m -76.93 114.5 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.94 106.87 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.3 mt -111.6 101.88 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -80.43 113.8 18.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.93 138.04 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 25' ' ' ARG . 19.4 m -63.37 141.81 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.619 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.04 -28.4 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.63 -25.43 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' H ' HG23 ' A' ' 22' ' ' VAL . 18.9 mmt85 -121.93 14.74 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HG21 ' A' ' 68' ' ' VAL . 10.9 t80 -63.34 -56.58 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 92' ' ' ILE . 8.6 tp -55.95 -43.18 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.83 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -58.13 -44.49 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -62.28 -42.93 99.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -50.54 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -66.96 -43.14 83.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.979 HD11 HD12 ' A' ' 9' ' ' ILE . 1.8 tp -53.93 -42.53 68.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -66.43 -20.73 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -29.81 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 tt -91.17 -32.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -60.84 -26.5 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -56.38 -28.0 57.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.95 179.63 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.06 36.68 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.17 99.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -85.01 -29.05 25.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.47 -44.65 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.36 -21.05 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 mtp -52.85 -52.15 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 ttp -57.06 -57.9 10.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -53.54 -34.69 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -67.84 -47.58 68.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.1 mt -60.87 -40.99 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -77.13 -27.47 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -68.94 -48.12 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -86.26 -51.55 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -88.3 162.83 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 tttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -92.67 102.01 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 4' ' ' CYS . 12.7 m -64.44 -18.92 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -164.28 28.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -150.02 160.49 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.397 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 ' CG1' ' A' ' 79' ' ' VAL . 95.0 t -131.23 120.33 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.42 128.15 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.699 HG13 ' HE1' ' A' ' 77' ' ' MET . 90.9 t -143.94 109.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.518 HD22 HD12 ' A' ' 76' ' ' LEU . 6.6 m-20 -132.31 112.71 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.8 -47.85 43.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.91 -48.06 69.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -74.53 -19.41 60.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.711 ' O ' HD23 ' A' ' 76' ' ' LEU . 49.3 mttm 63.55 56.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 75' ' ' LYS . 14.1 mt -134.42 123.04 23.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 70' ' ' VAL . 59.7 mmm -129.79 113.81 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.5 153.08 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.556 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.68 122.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.2 t -140.77 105.82 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 18.8 p90 -139.64 169.2 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.7 t -50.18 140.18 13.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.68 90.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.692 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.8 pt -83.31 -175.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -50.54 153.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -71.7 -41.5 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -51.38 -36.07 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 84' ' ' ILE . 3.1 ttm -77.05 -35.2 56.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.38 -25.42 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -64.91 -55.59 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.96 -33.17 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.795 HG12 HD13 ' A' ' 27' ' ' LEU . 97.2 mt -70.38 -45.33 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.77 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.1 m -62.46 -42.43 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.56 66.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.11 -35.83 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -54.95 -29.88 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -57.25 -23.51 48.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -50.58 -30.76 13.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -51.91 -36.13 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -127.21 26.13 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.36 79.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -50.84 -31.06 16.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.5 tmtm? -75.97 79.47 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.64 137.3 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -145.16 109.98 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.5 p -110.66 122.75 48.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.804 HD22 HG22 ' A' ' 65' ' ' VAL . 27.8 mt -82.54 109.52 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.79 163.06 33.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 66' ' ' GLY . . . -119.43 157.99 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.91 136.35 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.432 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -126.82 106.28 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.28 91.04 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 HD21 ' A' ' 33' ' ' LEU . 12.0 tt -97.62 130.34 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 110.94 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 154.75 40.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -52.02 106.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.98 45.2 7.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -153.67 141.08 19.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -51.6 157.03 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 140.36 42.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -118.11 119.43 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 106.85 18.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' ALA . 13.0 mt -107.65 119.89 58.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -91.68 118.15 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 29' ' ' SER . 16.9 t -126.77 125.57 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.98 145.28 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.503 ' HB3' HG21 ' A' ' 65' ' ' VAL . 2.3 ptt? -58.53 -22.24 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.43 -20.82 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.12 19.04 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -63.34 -56.3 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 92' ' ' ILE . 7.8 tp -55.67 -51.13 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.23 -43.82 83.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.603 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.9 t -56.54 -50.6 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 8.4 t80 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -56.29 -48.57 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.46 -29.84 64.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -60.45 -49.97 75.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.598 ' O ' HG22 ' A' ' 37' ' ' ILE . 34.1 t80 -55.38 -21.3 14.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -50.66 6.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 33' ' ' LEU . 18.1 tt -71.05 -9.28 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.0 tp -81.74 9.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -116.29 81.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 69.73 81.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -133.25 79.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -46.17 155.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -54.26 -25.89 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -53.97 -46.44 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.22 -25.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.83 -50.66 63.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -50.98 -45.48 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.27 -43.61 88.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.73 -48.33 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 81.0 mt -54.74 -46.7 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -76.27 -24.35 54.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.17 -47.94 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -89.37 -52.44 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -84.03 133.47 34.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.829 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.42 125.56 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.804 HG22 HD22 ' A' ' 3' ' ' LEU . 29.2 t -103.58 -15.3 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HB1' ' A' ' 5' ' ' ALA . . . 175.73 159.53 21.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -131.83 137.15 47.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 HG12 ' A' ' 79' ' ' VAL . 94.2 t -130.69 113.65 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -96.41 115.88 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -123.96 112.18 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -125.53 108.49 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -73.83 -29.13 61.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -52.29 60.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.24 -6.02 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' O ' HD23 ' A' ' 76' ' ' LEU . 74.0 mttt 58.97 60.93 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 75' ' ' LYS . 19.5 mt -130.38 125.47 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.553 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 tmm? -121.55 116.17 24.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -131.65 127.89 37.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.703 HG12 HG13 ' A' ' 68' ' ' VAL . 21.0 m -129.75 123.74 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -143.32 98.21 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 11.7 p90 -123.65 170.82 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 84' ' ' ILE . 2.9 t -50.65 133.21 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.86 107.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 82' ' ' SER . 30.4 pt -102.76 -175.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -51.38 139.67 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -39.64 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -52.17 -37.07 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.3 tpp -77.16 -27.86 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -56.76 -35.76 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -60.09 -55.14 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.26 -52.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 27' ' ' LEU . 67.8 mt -55.99 -45.35 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.23 -42.45 95.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.11 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 96.2 m -57.57 -52.89 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -64.51 -27.85 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -72.4 -36.98 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.58 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -57.24 -23.8 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 106' ' ' VAL . 37.2 mttt -56.43 -24.86 48.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.04 -23.7 55.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.11 26.5 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.4 -35.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.38 24.63 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.949 0.404 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -144.21 92.74 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.526 HG13 ' CE ' ' A' ' 77' ' ' MET . 85.6 t -125.76 139.75 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.43 109.89 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.652 HG22 ' CG2' ' A' ' 79' ' ' VAL . 26.3 p -104.52 144.93 31.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 m -95.8 137.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 mt -120.08 107.54 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.8 m -104.96 155.83 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.671 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.92 151.64 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.6 mmt -107.39 107.89 18.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.3 106.47 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -92.28 121.89 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.081 HD12 HD21 ' A' ' 33' ' ' LEU . 11.8 tt -132.54 130.03 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.5 t -134.17 89.38 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.36 173.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.11 101.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.77 53.79 42.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -130.97 15.44 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.52 160.66 0.12 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 135.04 29.68 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.5 m -122.66 114.15 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -85.12 106.9 16.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.4 mt -107.08 109.77 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.3 t -84.37 119.05 24.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG11 ' OG ' ' A' ' 29' ' ' SER . 43.7 t -135.29 132.55 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.3 t -56.52 149.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' HG21 ' A' ' 65' ' ' VAL . 8.8 ptt? -52.86 -33.39 49.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -68.03 -32.63 73.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -98.42 12.67 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -67.14 -55.53 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD13 ' CG1' ' A' ' 92' ' ' ILE . 21.3 tp -55.71 -45.74 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -60.72 -50.2 74.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.571 ' OG ' HG11 ' A' ' 21' ' ' VAL . 18.7 m -53.81 -46.76 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.3 -42.29 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -57.91 -44.5 86.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.59 -30.26 61.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.081 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -64.08 -45.03 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -59.21 -21.7 59.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.75 -60.07 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -57.96 -38.55 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.489 ' HB ' HD13 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.97 -24.9 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -95.92 29.25 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -127.28 176.53 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -123.81 36.48 4.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' ' 44' ' ' VAL . 2.7 m-20 -108.3 104.28 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -85.17 -16.25 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -80.68 -46.48 15.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' A' ' 41' ' ' ASP . 10.1 p -60.23 -19.8 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.52 ' O ' HD12 ' A' ' 49' ' ' ILE . 6.6 mtp -52.89 -51.17 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.8 tpp -52.91 -53.19 52.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -57.08 -31.7 65.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -74.39 -48.79 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 4.1 mt -65.33 -31.97 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.7 m -79.05 -50.41 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -83.9 -57.79 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -93.24 124.35 37.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -87.64 -52.72 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p 50.1 42.52 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.32 -35.87 9.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -147.32 113.89 6.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 58' ' ' ILE . 1.2 pp -115.1 152.43 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.23 160.61 67.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.533 0.683 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -40.04 5.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -52.04 -32.11 32.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.95 117.88 4.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -94.23 170.28 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -101.2 108.91 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.671 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.7 p -74.96 -23.3 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 160.17 171.52 26.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.74 151.02 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG13 HG12 ' A' ' 79' ' ' VAL . 66.7 t -131.08 115.78 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 t -90.32 120.72 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.85 116.02 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -131.34 119.66 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.96 -39.67 33.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.08 -52.71 49.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -93.01 -11.85 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 63.58 56.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' HG2' ' A' ' 105' ' ' LYS . 7.5 mt -116.74 138.93 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.3 tmm? -134.47 122.52 22.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 m -141.33 130.77 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.584 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.3 m -126.78 122.08 59.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.42 97.01 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.762 ' CE2' HD13 ' A' ' 84' ' ' ILE . 13.9 p90 -149.74 151.23 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -125.19 -169.97 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.5 50.79 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.762 HD13 ' CE2' ' A' ' 81' ' ' PHE . 7.4 pt -139.94 154.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.08 156.55 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.18 -39.72 65.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -70.83 -27.59 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.418 ' O ' HD12 ' A' ' 92' ' ' ILE . 4.0 ttm -63.61 -30.78 71.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -57.01 -35.52 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -58.99 -53.63 56.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.04 -55.05 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 9.6 mt -52.51 -50.09 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -58.18 -47.28 83.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.12 67.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.5 m -59.27 -51.25 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.694 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -61.43 -28.54 69.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -75.03 -38.83 61.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -54.13 -28.54 40.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.5 m-85 -57.57 -23.63 51.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -50.88 -30.72 15.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -54.96 -36.62 65.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -127.06 25.88 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 175.82 84.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -51.62 -30.37 21.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' HG2' HD22 ' A' ' 76' ' ' LEU . 12.9 tppt? -64.18 92.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 91.8 t -132.74 125.65 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -136.79 138.02 40.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.584 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.2 p -134.02 144.54 48.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.188 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -83.53 118.88 24.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.7 ttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -90.85 148.33 22.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.89 137.98 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.8 p -135.73 148.72 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.631 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -120.35 160.34 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.4 mmt -113.31 130.47 56.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -115.87 106.3 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -93.75 102.52 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.048 HD12 HD21 ' A' ' 33' ' ' LEU . 11.6 tt -107.44 128.91 62.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 t -134.02 108.83 8.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.21 149.76 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 111.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.35 44.37 8.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.9 m -160.45 140.5 11.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -51.7 157.01 2.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 153.66 68.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.677 2.251 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -128.02 118.63 23.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.15 106.79 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -109.56 110.69 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.5 p -82.05 130.63 35.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG12 ' HB3' ' A' ' 25' ' ' ARG . 21.1 t -137.97 142.9 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.3 151.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.703 ' CG ' HG21 ' A' ' 65' ' ' VAL . 9.7 tmm? -52.92 -51.24 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.51 -26.11 66.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HB3' HG12 ' A' ' 21' ' ' VAL . 16.5 tpp180 -90.9 4.37 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -62.26 -54.53 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.672 HD22 ' HG2' ' A' ' 88' ' ' MET . 23.3 tp -55.85 -45.26 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.41 -49.78 76.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -55.91 -49.28 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -60.67 -42.26 96.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t -57.73 -50.51 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -29.95 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.048 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.78 -44.96 88.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' C ' HG22 ' A' ' 37' ' ' ILE . 46.9 t80 -58.82 -21.6 56.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.76 -59.31 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.9 tt -57.31 -35.52 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.473 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.2 tp -62.93 -28.92 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.07 -26.05 64.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.17 -174.75 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -126.74 30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.97 106.55 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -30.68 23.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -71.32 -23.9 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.19 -20.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mmm -52.99 -51.99 59.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptm -52.17 -47.2 65.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -58.59 -41.78 86.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.32 -47.2 74.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 43.9 mt -56.41 -47.94 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.5 m -73.92 -27.05 60.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.25 -48.06 74.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -88.16 -55.69 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.97 104.14 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -120.14 132.91 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.4 p -109.48 82.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.53 -65.31 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -139.67 105.84 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.7 mt -107.44 122.47 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 160.55 25.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -22.21 32.67 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.41 -26.63 68.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -52.21 135.92 31.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -128.3 149.97 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.07 141.96 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.703 HG21 ' CG ' ' A' ' 23' ' ' MET . 10.5 p -116.09 -24.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.97 169.45 29.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -137.13 152.22 49.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.944 HG13 HG12 ' A' ' 79' ' ' VAL . 69.6 t -130.5 113.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -90.71 119.52 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.3 t -130.08 109.94 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -124.83 94.18 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.75 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.74 -52.83 63.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -98.76 9.63 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.9 mttm 51.74 48.04 23.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.0 124.14 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -127.82 120.1 27.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -141.47 134.88 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.944 HG12 HG13 ' A' ' 68' ' ' VAL . 33.0 m -130.06 132.26 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.7 m -144.47 103.32 3.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.659 ' CE2' HG21 ' A' ' 84' ' ' ILE . 19.2 p90 -150.34 148.84 29.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -122.69 -170.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.639 ' OD2' HG23 ' A' ' 65' ' ' VAL . 2.3 m-20 63.34 54.04 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.659 HG21 ' CE2' ' A' ' 81' ' ' PHE . 41.5 pt -136.77 -175.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -97.37 153.12 18.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -37.08 85.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -68.4 -41.26 80.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.672 ' HG2' HD22 ' A' ' 27' ' ' LEU . 5.0 ttp -56.94 -27.96 61.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -59.22 -25.97 64.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -68.47 -55.38 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.402 HG11 HD21 ' A' ' 27' ' ' LEU . 6.4 p -65.68 -34.82 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.605 HG12 HD13 ' A' ' 27' ' ' LEU . 26.8 mt -70.29 -45.67 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -66.24 -37.56 85.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.97 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.5 m -63.92 -37.26 86.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.62 -30.82 59.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -74.75 -35.82 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -27.64 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.473 ' CE2' HG21 ' A' ' 37' ' ' ILE . 15.2 m-85 -57.44 -23.6 50.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -50.67 -31.07 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -52.13 -37.41 54.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -127.04 25.98 6.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -178.89 79.85 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -51.54 -30.31 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -72.56 79.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.6 p -119.39 136.15 57.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 20.5 p -140.29 134.04 30.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -116.61 171.08 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.0 ptp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 mmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.3 m -101.24 122.26 43.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 mt -99.23 117.21 33.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 p -120.48 149.07 42.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -121.03 153.32 37.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.9 mmt -106.38 124.1 49.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -109.34 106.91 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.92 115.52 28.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.058 HD12 HD21 ' A' ' 33' ' ' LEU . 10.1 tt -126.52 125.26 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -131.17 137.37 48.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 25.0 ttp -101.28 162.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.49 117.66 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.069 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.76 51.67 28.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.1 t -160.98 146.06 14.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -64.78 160.96 49.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.72 40.85 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 9' ' ' ILE . 88.4 m -111.14 115.26 29.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.31 106.9 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.87 104.3 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.03 130.91 36.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 25' ' ' ARG . 15.7 t -143.8 153.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 t -56.71 154.2 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.792 ' HG3' HG21 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -53.1 -44.87 67.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.99 -50.36 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' HB2' HG12 ' A' ' 21' ' ' VAL . 47.4 mtp85 -58.08 -21.45 46.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 2.9 t80 -51.62 -49.76 61.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HG12 ' A' ' 92' ' ' ILE . 12.5 tp -55.69 -51.6 66.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -56.17 -47.13 78.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -54.78 -49.85 69.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -59.78 -42.6 93.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -57.29 -47.6 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -72.8 -30.12 63.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.058 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.03 -43.11 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -59.41 -21.8 60.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -57.23 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.502 HG22 ' HA ' ' A' ' 33' ' ' LEU . 13.7 tt -60.12 -33.75 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 33' ' ' LEU . 1.3 tp -65.89 -26.7 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.09 -27.81 35.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.14 -173.49 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -127.35 26.22 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -76.79 115.31 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -24.72 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.39 -26.33 68.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 36' ' ' ILE . 7.5 p -91.05 -25.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mtp -53.01 -52.09 59.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.1 ptm -57.7 -45.13 86.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.44 -38.72 90.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 67.1 t80 -65.74 -48.62 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 57.5 mt -60.14 -45.68 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -71.54 -28.01 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -68.76 -48.05 64.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -82.92 -59.12 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -66.57 98.25 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -118.27 29.76 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -139.26 88.89 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -92.08 138.76 31.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.6 mt -114.79 127.93 72.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 mtt -94.84 160.66 30.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.704 . . . . 0.0 110.908 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -36.03 11.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.7 2.266 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -51.98 -31.29 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -73.55 138.02 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -129.45 156.9 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.9 m -72.3 128.34 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.792 HG21 ' HG3' ' A' ' 23' ' ' MET . 10.6 p -115.42 -22.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.52 164.94 37.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -149.65 142.79 25.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.004 HG13 HG12 ' A' ' 79' ' ' VAL . 99.5 t -131.03 124.89 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.58 115.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 HG12 ' A' ' 68' ' ' VAL . 85.2 t -127.13 110.78 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -120.61 117.39 27.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -79.99 -38.35 32.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.88 -49.56 62.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -98.47 -8.95 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 62.98 46.07 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HG3' ' A' ' 105' ' ' LYS . 4.0 mt -103.41 134.01 47.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.52 115.4 18.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.7 m -141.81 103.85 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.004 HG12 HG13 ' A' ' 68' ' ' VAL . 34.1 m -107.03 130.54 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.9 m -150.15 106.24 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 16.0 p90 -129.8 175.25 8.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.0 t -51.16 139.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 91.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 92' ' ' ILE . 28.6 pt -87.81 -175.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.2 154.5 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -73.47 -36.67 65.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -51.67 -44.33 63.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.0 tpt -77.05 -27.73 54.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -56.72 -37.7 71.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.89 -49.23 78.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.09 -52.95 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 81' ' ' PHE . 51.4 mt -57.49 -46.49 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -60.5 -40.59 91.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.14 72.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.0 m -60.75 -50.63 72.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -63.28 -32.62 74.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.91 -33.98 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -59.1 -30.27 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 37' ' ' ILE . 17.5 m-85 -56.98 -23.57 46.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -50.0 -31.59 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -52.02 -35.19 46.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -127.06 26.04 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.71 81.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -51.51 -30.03 18.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.776 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -88.99 70.51 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 96' ' ' ALA . 7.3 p -117.71 126.93 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.97 151.31 49.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.591 HG22 HG22 ' A' ' 79' ' ' VAL . 18.4 p -138.17 151.0 47.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -101.56 101.97 12.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.8 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.883 0.373 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m -86.89 142.3 28.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 64.6 mt -110.22 108.96 19.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.3 m -114.53 135.64 53.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.549 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -106.14 147.01 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mmt -108.17 121.96 45.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -117.81 106.35 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -95.85 103.02 14.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.893 HD12 HD21 ' A' ' 33' ' ' LEU . 12.1 tt -111.67 128.12 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 p -134.13 123.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.77 145.04 28.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 109.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.42 32.35 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 t -154.76 151.06 28.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -62.43 160.63 31.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.5 40.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.7 m -112.33 114.59 27.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 m -85.09 106.79 16.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 53' ' ' ALA . 15.1 mt -108.65 106.04 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -87.21 116.4 25.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.5 t -131.78 128.57 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -52.17 151.57 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.549 ' CG ' HG21 ' A' ' 65' ' ' VAL . 2.1 tpt -55.91 -26.45 47.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.36 -25.65 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.7 9.47 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CE1' HG21 ' A' ' 68' ' ' VAL . 15.2 t80 -66.16 -56.63 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 92' ' ' ILE . 10.9 tp -56.46 -47.86 78.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.28 -48.02 81.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.5 t -55.3 -49.02 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -60.3 -42.58 95.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.0 t -57.3 -50.37 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -69.03 -30.0 68.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.893 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -63.16 -45.29 92.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.28 -21.44 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 -56.83 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.472 HD11 HG13 ' A' ' 44' ' ' VAL . 11.2 tt -60.56 -38.0 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.3 tp -59.25 -27.84 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -103.8 29.55 5.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -121.78 -5.79 9.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m120 51.75 30.33 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -103.53 94.23 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.0 m -85.12 -16.32 40.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.82 -27.71 62.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.472 HG13 HD11 ' A' ' 36' ' ' ILE . 14.8 p -91.14 -16.21 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmm -52.89 -50.47 63.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptp -51.84 -47.11 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.11 -37.15 86.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE2' HD23 ' A' ' 33' ' ' LEU . 62.8 t80 -65.78 -43.54 88.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.6 mt -68.11 -41.59 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.2 m -73.44 -26.37 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.819 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -75.95 -48.0 22.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.87 -56.12 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -76.41 131.1 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -133.18 103.21 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 p -88.68 75.1 8.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.53 -66.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -145.41 120.69 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -114.84 127.39 72.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -104.13 160.65 25.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.546 0.689 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -39.97 5.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -53.56 -28.41 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -52.02 110.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.3 143.4 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -68.53 152.14 45.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 10.5 p -115.4 -26.59 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.79 154.76 10.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.759 ' CZ ' HG21 ' A' ' 64' ' ' THR . 19.4 m-85 -118.72 138.43 52.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.049 HG13 HG12 ' A' ' 79' ' ' VAL . 87.2 t -131.12 116.18 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.76 132.28 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -143.48 109.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -129.4 112.93 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.53 -32.52 62.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -97.62 -9.42 26.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.4 mttt 63.59 53.15 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.429 HD22 ' HG3' ' A' ' 105' ' ' LYS . 7.9 mt -127.64 136.34 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 ttm -135.33 131.64 36.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.62 106.78 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.049 HG12 HG13 ' A' ' 68' ' ' VAL . 33.5 m -104.12 131.47 52.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.1 t -150.16 104.18 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 92' ' ' ILE . 18.1 p90 -131.37 175.15 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -51.11 146.38 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.26 86.8 1.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.432 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.0 pt -83.93 -174.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -50.86 153.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -70.16 -41.51 73.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -51.61 -41.7 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -77.08 -34.5 56.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -56.9 -47.18 81.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -55.15 -41.4 71.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.82 -55.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.602 ' CG1' HD13 ' A' ' 27' ' ' LEU . 5.2 mt -57.67 -40.55 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.9 -40.16 91.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.2 71.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.6 m -62.38 -46.92 86.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.31 72.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -74.94 -34.26 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -28.43 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 37' ' ' ILE . 13.8 m-85 -55.82 -21.48 19.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -47.18 -30.13 2.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -50.82 -37.32 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -128.14 25.2 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -174.61 79.33 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -51.33 -30.07 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.394 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.429 ' HG3' HD22 ' A' ' 76' ' ' LEU . 3.5 tmtt? -77.31 89.26 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 103' ' ' GLY . 92.6 t -126.78 130.72 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -132.15 137.41 47.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.485 HG22 HG22 ' A' ' 79' ' ' VAL . 36.5 p -134.14 135.23 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.52 118.49 34.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 20.3 ptm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -98.06 118.44 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.741 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -96.45 108.32 20.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.63 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 p -111.6 164.39 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.26 141.61 51.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.7 mmt -100.79 117.28 34.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.96 106.44 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -94.69 103.59 15.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.845 HD12 HD21 ' A' ' 33' ' ' LEU . 14.9 tt -110.82 127.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.13 95.19 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.0 ttp -51.9 161.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 118.6 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.36 52.93 45.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.5 p -153.9 141.07 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.828 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -51.74 156.85 2.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 139.69 40.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 9' ' ' ILE . 96.9 m -116.81 115.48 25.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -84.77 106.9 16.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.9 mt -110.14 102.71 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.12 105.94 15.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.25 131.84 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.577 HG13 ' H ' ' A' ' 25' ' ' ARG . 9.4 p -51.92 156.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.425 ' HB2' HG11 ' A' ' 65' ' ' VAL . 3.8 ttt -66.58 -35.7 80.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -60.01 -25.59 65.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.577 ' H ' HG13 ' A' ' 22' ' ' VAL . 10.4 mtt180 -121.49 14.6 11.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -65.41 -56.6 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD11 ' HG3' ' A' ' 88' ' ' MET . 0.9 OUTLIER -55.93 -46.17 78.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.19 -47.53 84.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 t -55.65 -49.68 72.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -60.19 -42.47 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.9 m -57.1 -50.38 72.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -66.03 -34.04 77.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -61.97 -43.43 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.484 ' O ' HG22 ' A' ' 37' ' ' ILE . 15.9 t80 -58.14 -21.98 49.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -61.62 1.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.0 tt -52.88 -33.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.8 tp -57.93 -28.99 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.15 -29.41 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -104.32 150.33 24.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -104.63 50.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -100.77 115.84 31.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -85.04 -26.02 27.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.45 -35.21 75.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.42 -24.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.96 -51.98 59.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 ptm -52.13 -47.07 65.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.04 -37.28 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' HD23 ' A' ' 33' ' ' LEU . 69.2 t80 -67.08 -53.44 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 44.0 mt -55.18 -44.23 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -73.36 -29.9 62.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -64.94 -47.8 76.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -85.33 -57.68 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -72.89 110.96 7.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -73.0 130.37 40.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -75.67 69.57 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.11 159.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.86 146.58 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 36.9 mm -106.36 144.01 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.09 160.51 61.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -14.86 36.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -35.99 48.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.06 148.2 32.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -125.99 154.33 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 118.88 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.741 ' HB ' HD12 ' A' ' 3' ' ' LEU . 7.3 p -116.76 -23.91 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 115.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -115.63 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 79' ' ' VAL . 73.2 t -131.07 132.2 63.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.7 122.78 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' SD ' ' A' ' 77' ' ' MET . 49.9 t -135.39 109.94 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -133.26 95.95 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -65.25 -23.04 66.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -64.5 -52.76 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -98.04 9.55 42.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt 51.63 43.59 29.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.37 115.43 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.457 ' SD ' HG13 ' A' ' 70' ' ' VAL . 8.9 mmt -126.28 124.22 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -141.06 152.63 44.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' CG2' HG22 ' A' ' 108' ' ' THR . 0.1 OUTLIER -144.03 127.95 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.04 105.63 3.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.66 ' CE2' HG21 ' A' ' 92' ' ' ILE . 11.6 p90 -131.35 170.22 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -51.69 128.6 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.78 106.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 92' ' ' ILE . 31.1 pt -103.61 -175.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -51.53 147.52 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -66.12 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -51.78 -46.0 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.454 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -76.92 -27.95 55.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -56.8 -41.84 78.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -47.4 85.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.33 -55.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 84' ' ' ILE . 83.1 mt -57.57 -55.37 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -54.75 -34.76 62.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.68 58.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.8 m -60.47 -35.08 75.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.636 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -77.85 -47.55 18.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HA ' HG11 ' A' ' 106' ' ' VAL . 21.8 mt-10 -65.82 -24.5 66.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -61.38 -26.48 67.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -55.42 -25.95 38.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -26.81 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -52.99 -37.39 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -22.15 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.43 50.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -130.35 135.97 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -64.03 108.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 96' ' ' ALA . 9.3 p -112.58 129.28 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -135.26 109.91 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' CG2' ' A' ' 79' ' ' VAL . 27.0 p -101.18 153.65 19.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.46 111.16 2.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.5 mmm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -106.47 148.04 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.577 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.6 mm? -93.49 107.91 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.49 144.74 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -113.73 150.03 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.88 113.48 25.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -107.62 106.27 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -92.53 106.84 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -118.41 131.6 70.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.2 104.87 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.5 ttt -51.86 169.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.21 102.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.07 58.35 14.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.4 m -126.96 -79.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 177.22 156.32 0.46 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 126.58 13.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' HB ' HG23 ' A' ' 9' ' ' ILE . 82.2 m -121.72 107.42 12.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.07 106.79 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mt -105.69 106.61 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -84.97 126.17 33.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 21.9 t -139.97 130.05 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 m -58.71 151.92 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.584 ' HB2' HG11 ' A' ' 65' ' ' VAL . 11.7 ttp -55.08 -33.91 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -65.25 -24.25 67.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.2 mtt85 -114.07 19.16 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -56.24 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.615 HD11 HG12 ' A' ' 91' ' ' VAL . 21.1 tp -56.91 -47.15 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.5 t -59.56 -49.86 76.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -60.62 -42.26 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 t -58.49 -53.5 57.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.2 -33.84 76.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -63.11 -45.4 92.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' C ' HG22 ' A' ' 37' ' ' ILE . 35.4 t80 -58.44 -21.96 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.36 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 HG22 ' HA ' ' A' ' 33' ' ' LEU . 12.8 tt -54.72 -36.75 37.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.468 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -61.75 -28.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.46 -36.66 74.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -95.64 158.76 15.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -102.81 48.66 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -88.1 107.24 18.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.8 m -81.19 -51.29 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -55.79 -26.17 44.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.3 t -83.76 -23.86 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -56.05 -52.12 65.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.42 ' HA ' HD12 ' A' ' 49' ' ' ILE . 7.3 tpt -54.72 -56.76 15.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.21 -36.25 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -68.05 -44.74 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.8 mt -62.21 -41.08 90.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.5 m -78.44 -26.11 46.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -70.29 -47.92 59.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -88.5 -49.33 6.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -93.16 145.09 24.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -74.66 -7.2 52.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.66 51.27 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -165.49 123.17 1.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -94.08 67.57 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.83 HG22 ' HD3' ' A' ' 60' ' ' PRO . 20.1 mm -115.06 108.84 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 ttm -118.6 71.53 9.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.83 ' HD3' HG22 ' A' ' 58' ' ' ILE . 53.6 Cg_endo -69.78 -35.13 13.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -150.54 19.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.99 168.12 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -138.01 148.69 45.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.28 131.21 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -105.63 -22.16 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.01 154.61 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.9 137.21 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -124.02 119.54 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.33 130.68 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -146.8 110.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -131.01 111.45 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.95 -24.96 55.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -73.98 -52.83 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -88.31 1.4 54.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 51.78 51.52 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.58 123.08 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.99 122.46 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.81 154.34 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.827 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 108' ' ' THR . 0.2 OUTLIER -138.49 133.03 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.36 98.06 3.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.629 ' HD2' HG21 ' A' ' 84' ' ' ILE . 5.1 m-85 -97.14 134.82 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -126.61 131.54 51.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 61.49 63.19 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.629 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.4 pt -130.96 178.48 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -97.97 160.21 14.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.07 -40.77 59.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -55.74 -51.84 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.831 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -27.87 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -56.92 -31.48 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -60.49 -55.12 37.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 HD11 ' A' ' 27' ' ' LEU . 50.6 t -64.15 -50.16 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' CE2' ' A' ' 81' ' ' PHE . 22.8 mt -55.49 -50.04 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -59.06 -49.34 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.05 -48.66 70.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.9 m -59.02 -53.89 53.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.26 -26.38 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -75.02 -42.01 58.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -29.32 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.6 m-85 -57.3 -23.74 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -51.15 -30.46 16.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -51.84 -40.55 60.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.04 25.97 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.58 83.15 0.13 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.449 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -51.48 -50.85 59.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.57 88.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -129.72 124.74 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -133.9 118.08 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 HG21 ' A' ' 79' ' ' VAL . 60.6 p -110.14 116.67 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -65.56 100.65 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.875 0.369 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -92.14 111.17 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 65' ' ' VAL . 8.0 mp -74.77 140.21 43.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.662 ' O ' HG22 ' A' ' 65' ' ' VAL . 73.5 m -141.38 165.45 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -125.95 144.78 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.0 mmt -98.32 140.6 32.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -134.87 106.38 6.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -94.75 97.87 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 10.7 tt -103.09 129.34 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -133.48 94.91 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 148.33 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 121.95 7.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 49.93 12.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 m -160.03 179.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.97 160.74 37.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.44 17.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.435 ' HB ' HG23 ' A' ' 9' ' ' ILE . 95.1 m -110.55 119.3 38.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.4 m -89.27 106.84 18.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.0 mt -107.55 125.48 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 p -104.12 125.45 50.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 29' ' ' SER . 46.9 t -126.72 137.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.528 HG23 ' H ' ' A' ' 25' ' ' ARG . 6.0 m -53.07 156.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.788 ' HG3' HG11 ' A' ' 65' ' ' VAL . 1.6 tmt? -73.22 -11.49 60.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.34 -17.15 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' H ' HG23 ' A' ' 22' ' ' VAL . 17.3 tpp180 -124.31 9.2 8.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -54.28 -37.13 64.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 88' ' ' MET . 10.3 tp -68.18 -52.2 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.95 -43.96 66.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.569 ' CB ' HG21 ' A' ' 21' ' ' VAL . 99.6 p -63.65 -47.77 79.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -59.74 -42.77 93.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -61.48 -52.33 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.39 -35.44 75.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -64.3 -44.18 92.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' O ' HG22 ' A' ' 37' ' ' ILE . 13.2 t80 -57.55 -21.91 41.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.54 -60.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG22 ' HA ' ' A' ' 33' ' ' LEU . 19.2 tt -54.67 -33.04 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.2 tp -56.1 -27.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -72.26 -25.44 61.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -95.58 166.05 12.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -116.97 43.2 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.4 93.4 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -81.02 -28.86 35.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.41 -33.43 74.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 t -90.78 -16.54 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.2 mtp -52.91 -50.58 63.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.3 ptm -51.86 -47.12 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -58.48 -38.88 78.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CE2' HD23 ' A' ' 33' ' ' LEU . 33.9 t80 -65.06 -52.67 54.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 45' ' ' MET . 3.1 mt -60.02 -40.35 82.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 m -74.26 -26.2 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -78.41 -48.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -80.01 -54.84 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.48 143.25 32.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -110.99 87.18 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 t -76.84 62.69 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.29 -169.26 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.29 88.22 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD11 ' OD1' ' A' ' 62' ' ' ASP . 5.8 tp -94.98 143.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.457 ' H ' HD12 ' A' ' 58' ' ' ILE . 28.2 mtt -89.92 160.58 40.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.689 . . . . 0.0 110.904 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -13.29 34.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -25.76 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.674 ' OD1' HD11 ' A' ' 58' ' ' ILE . 3.9 m-20 -51.86 159.92 0.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -133.76 166.92 21.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -110.09 131.99 54.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.788 HG11 ' HG3' ' A' ' 23' ' ' MET . 35.0 m -111.29 -16.47 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.85 169.19 29.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 69' ' ' VAL . 15.1 t80 -137.11 133.18 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.841 HG13 HG12 ' A' ' 79' ' ' VAL . 86.7 t -111.73 126.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 67' ' ' PHE . 21.8 t -105.55 117.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.0 t -128.01 109.85 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -122.43 99.06 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.594 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.71 -28.69 63.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -71.61 -52.69 16.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -80.81 -11.73 59.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 63.92 52.85 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.32 122.48 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.14 122.78 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.6 m -141.5 107.49 5.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.841 HG12 HG13 ' A' ' 68' ' ' VAL . 12.9 m -93.93 137.09 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 t -126.25 96.77 4.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.434 ' CE2' HD13 ' A' ' 92' ' ' ILE . 8.8 m-85 -103.07 135.41 44.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -139.44 145.33 38.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.39 55.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.406 HD11 ' HG2' ' A' ' 89' ' ' LYS . 23.3 pt -128.97 159.87 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.34 154.01 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -74.91 -29.91 61.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -75.1 -47.26 29.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.417 ' CG ' HD22 ' A' ' 27' ' ' LEU . 2.0 tpp -57.7 -28.05 63.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' HG2' HD11 ' A' ' 84' ' ' ILE . 13.8 mtpp -56.92 -37.4 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.9 -55.1 38.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.69 -56.03 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 ' CE2' ' A' ' 81' ' ' PHE . 54.2 mt -53.66 -47.72 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 ttmm -58.02 -41.79 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.02 94.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.3 m -62.78 -43.32 99.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.16 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -74.47 -31.52 62.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -61.09 -26.72 67.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.447 ' CE2' HG21 ' A' ' 37' ' ' ILE . 20.9 m-85 -56.51 -23.21 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.67 ' HG2' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -49.77 -29.8 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -50.69 -44.12 57.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -127.27 26.26 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.38 88.51 0.13 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -60.5 -25.09 65.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -102.35 95.18 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.67 HG11 ' HG2' ' A' ' 100' ' ' LYS . 7.4 p -133.4 145.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -151.02 149.95 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 79' ' ' VAL . 19.1 p -141.87 127.27 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.02 136.21 55.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.7 mtm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.434 ' C ' HD22 ' A' ' 3' ' ' LEU . 1.7 m -111.57 133.41 53.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.218 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.682 HD12 ' HB ' ' A' ' 65' ' ' VAL . 4.3 mm? -116.91 143.78 45.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' C ' HG12 ' A' ' 65' ' ' VAL . 13.8 p -145.77 147.77 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -102.72 141.33 35.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 mmt -94.01 108.86 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HE1' HG21 ' A' ' 70' ' ' VAL . 1.6 t80 -98.04 106.4 18.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -94.33 107.5 19.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.034 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -113.86 129.03 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.14 93.38 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 154.09 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.61 108.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.15 45.01 6.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -152.99 153.64 33.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -66.6 160.85 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.563 0.697 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 121.69 8.38 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.429 ' HB ' HG23 ' A' ' 9' ' ' ILE . 86.9 m -101.26 112.93 25.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.22 106.71 14.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.433 HG12 HG23 ' A' ' 49' ' ' ILE . 21.8 mt -106.48 108.19 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 m -80.84 125.04 29.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' A' ' 25' ' ' ARG . 20.4 t -124.92 151.05 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 t -66.21 154.34 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.445 ' SD ' HG11 ' A' ' 65' ' ' VAL . 6.9 tpt -61.43 -17.99 56.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.95 4.73 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 tpp180 -119.98 -12.31 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -50.6 -37.53 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.73 -53.59 38.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.88 -43.17 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -62.88 -49.66 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -60.93 -42.49 98.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -59.28 -50.66 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.59 -30.18 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -64.92 -45.96 83.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' C ' HG22 ' A' ' 37' ' ' ILE . 21.2 t80 -58.09 -21.42 46.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.65 -61.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -56.36 -39.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.502 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.3 tp -52.61 -29.95 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.27 -25.96 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -107.29 -173.78 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -125.28 26.13 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.8 102.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.03 -28.98 25.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -71.8 -25.02 61.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.7 t -88.22 -19.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.2 mtp -52.97 -51.97 59.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 ptm -51.83 -47.76 64.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -38.1 82.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.02 -53.77 28.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 6.2 mt -54.98 -43.57 69.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -74.5 -28.51 61.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -65.8 -47.99 73.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -87.09 -56.09 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -77.59 145.93 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -91.85 128.5 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.2 p -75.89 69.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -163.6 147.28 10.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -94.08 40.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.11 113.28 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.159 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -149.16 71.27 10.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -38.58 7.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -139.6 26.03 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.18 122.75 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -127.09 155.69 42.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.08 124.25 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.682 ' HB ' HD12 ' A' ' 3' ' ' LEU . 14.5 p -116.91 -19.0 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.47 166.56 39.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.87 144.2 27.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.682 HG22 HG13 ' A' ' 79' ' ' VAL . 51.0 t -131.06 118.14 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.4 t -91.46 115.48 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' HE1' ' A' ' 7' ' ' TYR . 97.8 t -130.01 110.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -132.14 105.38 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.627 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -70.78 -23.75 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -64.67 -52.93 54.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -98.74 6.8 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 53.13 13.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.99 125.15 53.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 122.84 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 m -141.56 146.14 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.682 HG13 HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.59 128.68 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.59 112.39 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' HE2' HG21 ' A' ' 92' ' ' ILE . 16.8 m-85 -115.51 155.92 26.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.41 121.34 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.32 79.03 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pt -126.85 148.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.1 156.45 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.01 -60.13 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -33.59 67.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -36.35 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -56.93 -37.25 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.11 -55.07 38.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.75 -56.13 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.55 HG21 ' HE2' ' A' ' 81' ' ' PHE . 65.1 mt -54.45 -48.36 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.23 -39.9 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.13 -50.02 72.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.5 m -60.89 -36.67 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.73 -31.63 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' HA ' HG11 ' A' ' 106' ' ' VAL . 4.2 tt0 -74.01 -34.31 64.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -26.76 35.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -56.55 -23.4 39.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.64 -31.42 10.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -52.95 -38.99 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -127.15 26.16 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.43 83.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -51.07 -30.86 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.77 86.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 97' ' ' GLU . 22.0 t -129.47 125.77 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -135.78 109.94 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 33.8 p -111.32 137.06 49.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.38 139.61 56.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.6 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.94 121.9 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.789 HD22 HG12 ' A' ' 65' ' ' VAL . 67.4 mt -83.38 107.44 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' HG22 ' A' ' 65' ' ' VAL . 20.1 p -119.56 161.42 20.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.03 140.37 52.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.61 132.17 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -134.81 106.4 6.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -94.05 93.64 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.967 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -99.6 130.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.11 146.34 50.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 12.7 ttt -114.97 165.67 12.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 117.97 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.21 53.77 37.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -160.08 131.16 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.54 157.21 1.87 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.583 0.706 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 127.93 15.27 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -97.75 119.05 35.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.47 106.81 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -107.37 130.63 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.2 m -105.82 111.69 24.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.807 HG11 ' HB3' ' A' ' 29' ' ' SER . 21.4 t -118.42 129.26 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG22 ' H ' ' A' ' 24' ' ' ASP . 9.4 p -51.94 146.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.559 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -55.59 -37.94 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 22' ' ' VAL . 26.4 t0 -63.7 -16.22 60.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -119.16 19.27 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -56.56 18.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD11 HG22 ' A' ' 91' ' ' VAL . 30.9 tp -60.27 -50.92 71.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -52.91 -51.0 62.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.807 ' HB3' HG11 ' A' ' 21' ' ' VAL . 60.6 p -56.99 -48.26 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 6.5 t80 -61.45 -42.13 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.9 t -58.76 -47.61 84.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.38 -33.31 74.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -63.94 -44.12 93.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -58.91 -21.84 58.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -59.73 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.5 tt -55.76 -34.37 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.587 HG21 ' CE2' ' A' ' 99' ' ' PHE . 1.1 tp -67.62 -25.81 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -65.31 -25.51 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.57 157.08 20.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -92.32 52.0 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.95 102.86 15.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -32.57 22.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.98 -25.76 61.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -81.42 -22.81 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.4 mmm -53.19 -52.02 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 tpt -57.8 -58.99 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.09 51.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -67.25 -51.0 58.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.535 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 15.4 mt -54.91 -44.55 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 t -75.37 -28.52 59.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -66.7 -48.09 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -86.33 -54.72 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -81.0 96.21 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.53 133.39 41.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.2 p -80.46 62.02 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -89.11 -21.41 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.48 73.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.3 mt -83.25 146.92 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -51.43 156.95 1.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -9.2 25.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -58.5 -24.95 61.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -51.79 152.22 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -117.81 149.08 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.733 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -78.75 144.76 34.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.789 HG12 HD22 ' A' ' 3' ' ' LEU . 17.5 m -117.28 -0.83 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.81 158.24 8.86 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 64' ' ' THR . 27.1 m-85 -129.94 126.98 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 7' ' ' TYR . 98.5 t -115.62 111.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 t -94.3 115.36 32.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 68' ' ' VAL . 80.6 t -135.82 116.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -135.61 122.91 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 11' ' ' MET . . . -71.53 -35.33 70.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -51.3 -53.86 31.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -99.68 13.51 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.5 pttt 39.75 54.84 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' HG2' ' A' ' 105' ' ' LYS . 39.9 mt -112.36 134.81 53.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -133.83 116.19 15.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -139.52 125.61 19.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 4.6 m -115.42 108.96 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -105.93 98.24 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -100.64 135.67 41.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -73.73 -169.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -51.55 103.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.571 HD11 ' HD3' ' A' ' 89' ' ' LYS . 3.7 pt -129.5 -178.42 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.2 160.02 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -75.1 -40.18 60.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.74 -54.08 32.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.554 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -65.91 -27.75 68.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.571 ' HD3' HD11 ' A' ' 84' ' ' ILE . 3.3 tppp? -58.93 -25.76 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -55.49 9.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.435 HG22 HD11 ' A' ' 27' ' ' LEU . 5.8 p -63.96 -33.81 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.554 HD11 ' HG2' ' A' ' 88' ' ' MET . 58.0 mt -69.94 -56.08 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -59.83 -33.28 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.41 -50.29 47.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.4 m -62.35 -34.26 76.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.19 56.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.37 -33.98 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -31.03 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' HG21 ' A' ' 37' ' ' ILE . 21.4 m-85 -56.96 -23.48 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -49.79 -31.03 10.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -51.63 -41.04 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.22 26.2 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -160.51 83.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -51.75 -29.85 20.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.56 ' HG2' HD22 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -84.81 91.73 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 103' ' ' GLY . 94.4 t -121.37 122.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -129.55 159.01 37.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.8 p -147.31 159.88 43.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.94 117.6 2.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 ptt? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 m -100.09 122.31 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.5 mp -104.05 109.46 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.71 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.0 p -107.22 156.03 19.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -123.77 149.15 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.2 mmt -107.97 110.34 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -104.77 106.3 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -91.1 119.47 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.987 HD12 HD21 ' A' ' 33' ' ' LEU . 12.4 tt -125.51 123.46 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.09 97.69 3.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.566 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -54.53 173.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.49 -65.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.85 64.89 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -160.71 151.57 18.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -68.3 160.77 73.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.63 30.91 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.727 HG21 HD13 ' A' ' 49' ' ' ILE . 70.7 m -118.27 122.05 41.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.02 106.67 18.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.0 mt -102.77 104.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -81.2 114.97 20.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 40.0 t -129.85 132.37 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 25' ' ' ARG . 27.5 m -57.17 155.76 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.644 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.7 ptt? -60.71 -22.47 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.75 -26.04 59.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.7 18.35 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.34 18.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -48.96 79.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -52.96 -51.12 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -57.76 -47.47 82.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' HE2' HG12 ' A' ' 79' ' ' VAL . 1.4 t80 -61.37 -42.23 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -58.91 -51.31 70.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.28 -33.23 75.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.987 HD21 HD12 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -61.47 -21.69 64.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.47 -57.68 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 tt -59.85 -37.84 73.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 99' ' ' PHE . 2.5 tp -59.28 -28.55 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.6 -25.93 64.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.22 -174.75 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -128.3 29.57 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -77.97 101.12 6.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -26.85 26.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -73.64 -24.67 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -87.0 -19.33 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mmm -52.85 -52.13 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -53.59 -44.07 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -67.49 -38.02 83.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.97 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.727 HD13 HG21 ' A' ' 17' ' ' THR . 9.5 mt -70.56 -39.85 76.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 t -74.42 -25.79 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.58 -48.02 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.86 -54.15 6.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.899 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -82.34 132.16 35.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -90.73 135.72 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -87.12 68.92 10.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -128.02 162.17 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -119.89 39.33 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.3 mm -106.51 111.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.53 66.94 2.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -39.65 6.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -132.77 26.21 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -66.63 117.12 8.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -106.81 156.02 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -78.92 117.91 20.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 4' ' ' CYS . 11.1 p -97.91 -24.58 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.41 160.19 21.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -140.61 143.82 35.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.5 t -131.28 124.38 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.65 121.29 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.26 110.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -122.16 104.98 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB3' ' C ' ' A' ' 11' ' ' MET . . . -67.86 -38.87 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -52.62 -53.05 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -98.98 15.9 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttp 38.6 55.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD22 ' HD2' ' A' ' 105' ' ' LYS . 58.8 mt -112.0 137.57 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.409 ' HE1' ' H ' ' A' ' 105' ' ' LYS . 3.8 mpp? -134.69 120.61 19.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' CG2' HG22 ' A' ' 108' ' ' THR . 33.8 m -115.64 130.83 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.8 m -130.22 96.9 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.743 ' CE2' HD13 ' A' ' 92' ' ' ILE . 7.8 m-85 -100.32 136.28 40.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.7 m -130.75 131.37 44.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 63.34 61.71 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.553 HG21 ' HD2' ' A' ' 81' ' ' PHE . 5.0 pt -127.29 175.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 159.83 19.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.96 -40.74 60.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -60.35 -52.5 65.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.505 ' HG2' HD11 ' A' ' 92' ' ' ILE . 0.3 OUTLIER -57.15 -28.68 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -57.77 -39.21 76.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -55.09 39.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.2 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.743 HD13 ' CE2' ' A' ' 81' ' ' PHE . 59.5 mt -54.95 -38.54 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -65.69 -42.96 90.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.77 -49.93 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.2 m -61.3 -49.39 77.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.51 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.84 -27.95 69.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -74.26 -40.27 62.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -54.5 -31.0 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 37' ' ' ILE . 11.1 m-85 -56.13 -25.33 45.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -14.31 60.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -85.18 -11.56 54.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -120.37 -22.06 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -120.96 -26.31 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 59.02 21.31 9.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HD2' HD22 ' A' ' 76' ' ' LEU . 2.1 tmtp? -144.13 79.25 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 96' ' ' ALA . 10.3 p -116.84 136.6 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -139.84 118.99 12.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.569 HG22 ' CG2' ' A' ' 79' ' ' VAL . 19.6 p -107.57 137.28 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -134.53 127.18 30.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 35.8 mtm . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.533 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -96.85 148.17 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 2' ' ' THR . 4.2 mm? -126.17 118.93 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.5 p -115.98 162.38 17.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -125.94 152.11 46.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 mmt -107.98 122.11 46.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -105.68 145.9 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -131.92 92.81 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.938 HD12 HD11 ' A' ' 33' ' ' LEU . 11.8 tt -102.61 130.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.93 93.02 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.453 ' SD ' HG23 ' A' ' 42' ' ' THR . 10.2 ttt -52.37 166.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.51 117.29 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.88 53.63 39.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -153.51 140.34 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -52.19 160.67 1.17 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.42 14.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 HG21 ' CD1' ' A' ' 49' ' ' ILE . 96.8 m -105.53 115.79 30.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.03 106.82 17.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.813 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -108.43 110.13 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.0 m -84.32 130.13 34.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.03 137.67 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 25' ' ' ARG . 26.8 m -59.89 160.65 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -13.0 60.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.2 -24.53 32.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.6 ' H ' HG23 ' A' ' 22' ' ' VAL . 4.2 mpt_? -121.38 12.34 10.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 68' ' ' VAL . 3.7 t80 -64.84 -55.56 18.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 92' ' ' ILE . 8.9 tp -55.31 -42.83 74.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.06 -50.49 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.01 -44.23 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.05 -42.73 96.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -57.27 -50.55 72.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.39 -39.59 74.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -53.93 -41.94 68.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -66.41 -21.09 66.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.62 -29.75 27.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 tt -91.34 -31.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG21 ' CE1' ' A' ' 99' ' ' PHE . 0.6 OUTLIER -59.31 -21.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.81 -24.91 55.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -79.79 179.15 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -115.87 -20.45 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HB2' HG23 ' A' ' 44' ' ' VAL . 1.7 p30 -51.05 103.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.453 HG23 ' SD ' ' A' ' 11' ' ' MET . 1.5 m -85.02 -22.05 29.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.92 -13.8 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 41' ' ' ASP . 47.2 t -88.58 -23.91 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.2 mmm -53.03 -51.9 60.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptm -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.8 -36.86 83.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.36 -40.45 89.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 10.5 mt -73.45 -37.45 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.1 t -76.47 -25.05 53.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.9 ttm-85 -82.02 -46.31 14.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -81.21 -50.58 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -90.54 135.69 33.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.43 -25.7 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.8 p 50.31 30.59 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.59 -31.78 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.29 109.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 60' ' ' PRO . 2.9 tt -71.63 148.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.1 ttp -115.15 70.75 2.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.668 ' HD3' HG23 ' A' ' 58' ' ' ILE . 53.1 Cg_endo -69.82 -32.24 18.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -154.76 21.56 0.46 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -92.61 165.39 13.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -131.05 178.41 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.8 m -103.04 125.54 49.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.98 -21.84 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.37 -169.4 33.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -149.98 161.06 43.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.846 HG13 HG12 ' A' ' 79' ' ' VAL . 85.7 t -131.31 132.44 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.4 t -104.26 125.67 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.3 t -139.41 122.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -138.41 119.45 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.84 -25.43 35.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -67.07 -52.79 37.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.68 4.37 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 51.84 59.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.545 HD23 ' CD ' ' A' ' 105' ' ' LYS . 4.3 mt -117.59 122.17 42.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -132.37 111.32 11.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 m -141.58 108.57 5.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.846 HG12 HG13 ' A' ' 68' ' ' VAL . 17.2 m -98.76 136.33 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.0 m -141.52 107.17 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -130.9 161.47 31.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -54.93 170.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -55.0 107.7 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 81' ' ' PHE . 38.1 pt -90.58 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.32 177.63 8.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.13 -60.09 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -53.71 -47.18 70.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.485 ' O ' HD12 ' A' ' 92' ' ' ILE . 0.4 OUTLIER -57.29 -38.72 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.8 tttt -56.81 -40.05 75.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -60.56 -55.09 37.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.73 -56.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 27' ' ' LEU . 10.3 mt -53.82 -42.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -41.56 98.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.21 -50.15 69.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 m -60.83 -48.94 79.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.12 82.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -75.03 -25.77 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -29.17 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CE1' HG21 ' A' ' 37' ' ' ILE . 3.7 m-85 -57.42 -23.24 48.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -31.82 9.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -51.96 -37.97 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -127.31 26.06 6.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -176.52 80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -50.67 -31.13 15.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.388 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' CD ' HD23 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -73.14 77.51 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 p -113.14 138.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -148.54 147.3 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.583 HG22 HG22 ' A' ' 79' ' ' VAL . 32.7 p -146.16 131.41 18.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -111.64 108.31 17.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 7.0 tmm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 mtm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 m -89.26 144.9 25.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.7 mt -106.68 107.54 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.639 ' O ' HG12 ' A' ' 65' ' ' VAL . 55.5 m -107.52 162.49 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' VAL . . . -125.69 155.4 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.87 108.84 18.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.38 106.37 16.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -94.14 121.53 35.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.555 HD12 HD21 ' A' ' 33' ' ' LEU . 10.9 tt -129.98 127.32 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.98 92.45 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.467 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 13.8 ttp -51.92 168.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.63 107.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.72 49.43 23.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.524 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.9 t -146.22 136.93 24.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.807 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -51.6 157.01 1.98 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.572 0.701 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 105.31 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 HG21 ' CD1' ' A' ' 49' ' ' ILE . 90.0 m -80.46 120.61 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 106.86 17.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.8 mt -111.17 103.52 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.9 m -81.58 120.22 24.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 29' ' ' SER . 26.2 t -130.48 130.12 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 24' ' ' ASP . 10.8 p -55.53 151.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.803 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -57.35 -33.52 67.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -70.88 -9.47 57.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HB2' HG12 ' A' ' 21' ' ' VAL . 61.3 mtt180 -118.38 17.32 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -53.63 23.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.608 HD21 ' CG1' ' A' ' 91' ' ' VAL . 0.1 OUTLIER -55.74 -52.25 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.0 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 21' ' ' VAL . 28.6 t -53.38 -56.65 15.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -42.06 97.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 t -54.01 -44.03 70.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -80.02 -33.16 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' C ' HG22 ' A' ' 37' ' ' ILE . 18.0 t80 -59.11 -21.74 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.13 -60.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 tt -56.9 -38.15 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.497 HD13 HG11 ' A' ' 70' ' ' VAL . 2.5 tp -57.8 -28.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.09 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -72.36 -28.39 63.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -94.2 164.57 12.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -111.93 44.66 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -89.65 106.5 18.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -85.02 -28.76 25.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -70.81 -36.04 72.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -78.64 -24.3 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtp -53.15 -51.96 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.8 tpp -53.75 -54.03 43.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -58.14 -35.46 71.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.15 -44.27 80.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.508 ' CD1' HG21 ' A' ' 17' ' ' THR . 10.0 mt -65.12 -40.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 t -76.26 -26.67 56.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -73.8 -44.08 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.09 -55.55 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -84.68 146.61 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -104.16 172.89 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 p -135.68 -62.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -62.41 147.16 49.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 52.12 60.61 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -66.83 147.4 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.482 ' N ' HD13 ' A' ' 58' ' ' ILE . 10.0 ptp -108.56 88.06 4.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.844 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -29.56 23.31 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -61.75 -23.79 66.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -51.96 169.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -131.91 163.16 28.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.59 126.3 31.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 23' ' ' MET . 10.6 p -117.47 -11.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.29 147.55 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.544 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -134.07 142.87 47.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.528 HG13 HG12 ' A' ' 79' ' ' VAL . 69.3 t -130.81 117.25 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.9 t -95.34 116.06 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG11 HD13 ' A' ' 37' ' ' ILE . 99.7 t -123.73 112.32 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -125.51 111.66 15.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -76.61 -39.74 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -61.51 -52.66 63.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -82.97 -14.86 53.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 mttm 63.61 54.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.571 HD23 ' HG3' ' A' ' 105' ' ' LYS . 9.7 mt -122.88 124.15 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.46 ' SD ' HG13 ' A' ' 70' ' ' VAL . 18.1 mmt -122.1 120.07 33.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.8 m -141.63 133.99 28.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 108' ' ' THR . 17.7 m -126.12 136.34 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.9 m -135.85 96.92 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.467 ' CE2' HD13 ' A' ' 92' ' ' ILE . 10.1 m-85 -99.96 135.65 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.43 125.95 49.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.83 86.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.9 pt -138.74 -178.4 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.04 167.22 11.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.07 -36.13 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -79.1 -26.45 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.601 ' CG ' HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -77.11 -40.44 45.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -63.45 -25.75 68.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -70.21 -55.72 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.608 ' CG1' HD21 ' A' ' 27' ' ' LEU . 7.4 p -63.61 -38.37 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.49 HD11 ' HG2' ' A' ' 88' ' ' MET . 76.3 mt -67.99 -43.12 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -65.57 -38.96 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -47.84 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 98.0 m -61.18 -41.73 97.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.65 -39.55 77.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.576 ' HA ' HG11 ' A' ' 106' ' ' VAL . 14.9 mm-40 -68.29 -31.49 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.13 -26.7 28.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -56.12 -23.45 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -49.96 -30.79 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -54.43 -38.04 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -127.11 26.09 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -179.4 83.49 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -50.81 -30.47 14.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.918 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.571 ' HG3' HD23 ' A' ' 76' ' ' LEU . 5.8 tmtt? -70.12 83.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 97' ' ' GLU . 53.1 t -126.14 126.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -133.74 146.57 50.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.608 HG22 HG22 ' A' ' 79' ' ' VAL . 25.4 p -138.46 145.38 40.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.0 127.34 55.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.9 tmm? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ptt? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.54 123.78 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.485 HD12 ' HB ' ' A' ' 65' ' ' VAL . 3.9 mm? -96.27 107.61 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' C ' HG12 ' A' ' 65' ' ' VAL . 26.5 p -112.24 150.4 30.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -116.79 145.03 43.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 129.83 45.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 2.0 t80 -124.83 106.24 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -94.07 100.24 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.94 HD12 HD11 ' A' ' 33' ' ' LEU . 11.1 tt -111.0 127.9 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -134.1 95.78 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 ttt -63.63 174.25 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.09 101.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.08 32.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.8 p -133.02 11.76 4.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 63.03 160.42 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.562 0.696 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 128.53 16.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.46 ' HB ' HG23 ' A' ' 9' ' ' ILE . 97.3 m -115.91 115.02 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.96 106.86 17.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.591 HG23 ' HB2' ' A' ' 53' ' ' ALA . 17.3 mt -110.61 118.43 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.63 130.24 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.9 t -140.64 134.78 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 24' ' ' ASP . 21.9 t -55.89 148.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.683 ' CB ' HG21 ' A' ' 65' ' ' VAL . 4.7 ptm -52.93 -33.36 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 43.3 t0 -76.35 -29.68 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -97.03 9.19 42.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -66.88 -56.23 11.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.666 HD13 ' CG1' ' A' ' 92' ' ' ILE . 13.3 tp -55.79 -42.35 75.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.94 -49.64 73.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -54.62 -46.3 73.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.38 -42.56 96.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -55.91 -51.05 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -71.25 -38.93 71.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 9' ' ' ILE . 1.4 tp -54.24 -40.64 67.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -67.76 -20.79 65.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.57 -29.37 25.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.51 -32.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -23.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.99 -25.48 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.74 179.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -123.1 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.589 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.8 p-10 -51.85 129.13 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -85.11 -18.6 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -58.32 -22.58 53.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 41' ' ' ASP . 14.6 p -89.78 -27.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mtp -56.42 -52.15 65.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.27 -58.76 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.82 -35.88 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' CE2' HD12 ' A' ' 33' ' ' LEU . 57.1 t80 -66.84 -52.04 48.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 8.7 mt -55.2 -45.13 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.01 -28.33 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.24 -47.96 74.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -87.41 -56.6 3.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -75.31 117.21 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.85 120.49 31.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.3 p -75.71 69.12 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -165.26 162.37 19.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 63.34 38.61 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.48 126.36 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.55 159.91 28.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -15.91 37.07 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -96.02 32.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -91.37 147.91 22.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD3' HD21 ' A' ' 3' ' ' LEU . 11.1 ptmt -136.22 170.4 16.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.86 129.47 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' A' ' 23' ' ' MET . 10.6 p -102.78 -21.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.66 162.58 28.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -136.11 140.3 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.937 0.399 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.727 HG13 HG12 ' A' ' 79' ' ' VAL . 80.2 t -131.15 127.07 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -106.4 115.96 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 77' ' ' MET . 90.1 t -127.43 117.08 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -131.94 105.09 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.73 -23.64 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.04 -50.81 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -98.6 19.66 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttm 38.71 47.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.0 mt -103.63 127.61 51.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 70' ' ' VAL . 13.2 mmt -137.85 111.64 8.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -141.53 127.12 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.727 HG12 HG13 ' A' ' 68' ' ' VAL . 21.9 m -123.97 123.69 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.65 102.6 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.792 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 10.5 p90 -126.98 173.07 9.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -51.64 151.93 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.6 101.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 92' ' ' ILE . 31.1 pt -97.54 -177.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -59.08 164.66 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.03 -32.6 61.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -54.1 -40.17 67.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.581 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.2 mtt -77.04 -33.08 57.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -56.93 -35.2 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -58.63 -55.06 40.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.73 -51.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.792 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 37.3 mt -55.31 -39.88 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -66.13 -45.91 79.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.97 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.1 m -59.24 -49.9 76.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.12 -37.66 80.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -68.79 -36.57 78.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -63.35 -32.48 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -57.17 -23.79 49.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HG3' HG21 ' A' ' 106' ' ' VAL . 42.4 mttt -50.82 -30.76 15.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -51.86 -36.79 49.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -127.09 25.42 6.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.81 78.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -51.78 -29.93 20.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -72.98 77.93 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.463 HG21 ' HG3' ' A' ' 100' ' ' LYS . 53.1 t -112.71 128.85 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -138.06 111.16 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 66.5 p -109.36 121.99 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -82.27 162.58 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 41.5 mtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.9 m -105.01 107.9 19.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.697 HD22 ' CG1' ' A' ' 65' ' ' VAL . 40.3 mt -91.39 108.27 19.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.721 ' O ' HG22 ' A' ' 65' ' ' VAL . 31.2 p -118.74 169.37 9.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -136.58 161.84 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.5 mmt -107.24 133.69 51.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -120.25 106.38 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.14 107.74 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.009 HD12 HD21 ' A' ' 33' ' ' LEU . 11.5 tt -118.8 122.22 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -130.98 123.38 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.0 152.26 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 114.0 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.2 47.04 7.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -168.22 136.12 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.877 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -51.78 156.93 2.16 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.1 69.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.727 2.285 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.601 HG21 HD13 ' A' ' 49' ' ' ILE . 98.2 m -120.87 118.84 30.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -85.49 106.8 17.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.042 HG23 ' HB2' ' A' ' 53' ' ' ALA . 16.6 mt -110.67 107.7 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.99 129.69 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.6 t -144.9 145.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 25' ' ' ARG . 5.7 m -52.06 158.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.675 ' HB3' HG21 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -74.33 -25.08 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.42 -25.55 54.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' H ' HG23 ' A' ' 22' ' ' VAL . 22.4 ttp180 -107.43 -8.53 16.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 5' ' ' ALA . 2.9 t80 -51.65 -46.46 63.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 91' ' ' VAL . 25.1 tp -55.77 -54.95 38.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.81 -46.57 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -55.16 -49.32 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.92 -42.48 94.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -57.89 -48.7 79.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.54 -33.25 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.009 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -61.17 -43.82 98.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' O ' HG22 ' A' ' 37' ' ' ILE . 29.9 t80 -58.05 -21.66 46.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.26 -61.23 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 33' ' ' LEU . 20.4 tt -53.74 -33.42 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 34' ' ' TYR . 1.1 tp -55.88 -29.11 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -111.96 29.71 7.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.63 -4.98 14.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m120 52.04 30.01 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -95.0 94.37 7.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.8 p -85.03 -48.48 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.97 -27.9 61.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.9 t -87.86 -20.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.695 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -52.99 -52.19 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptp -52.08 -45.74 64.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -64.85 -42.22 95.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -61.15 -35.24 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.601 HD13 HG21 ' A' ' 17' ' ' THR . 46.0 mt -73.86 -48.77 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -69.08 -20.32 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -85.18 -46.46 11.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -80.35 -59.21 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 1.042 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -61.66 143.67 55.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -102.36 86.8 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 t -75.73 68.29 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -121.45 -175.4 3.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -119.74 33.73 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 58' ' ' ILE . 19.0 tt -109.69 127.78 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -162.84 67.03 1.77 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.622 0.725 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.5 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.26 . . . . 0.0 112.351 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -132.41 31.69 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -50.43 131.12 24.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HB3' HD23 ' A' ' 3' ' ' LEU . 73.7 tttt -146.05 120.6 9.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.5 m -69.19 135.78 51.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 4' ' ' CYS . 6.1 m -113.94 -20.62 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.18 157.9 18.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -133.19 143.84 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.947 0.403 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG22 ' CG1' ' A' ' 79' ' ' VAL . 91.2 t -120.12 137.95 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.9 t -114.3 123.3 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 77' ' ' MET . 86.2 t -134.9 109.88 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -122.15 94.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.08 -23.96 65.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -67.95 -43.91 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -98.35 -0.15 44.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm 56.73 51.62 10.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -128.64 123.75 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.517 ' HB2' HG22 ' A' ' 106' ' ' VAL . 12.4 mmt -116.77 130.77 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.48 154.66 45.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.502 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -146.19 136.84 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.8 m -134.56 96.91 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.723 ' CE2' HD13 ' A' ' 92' ' ' ILE . 5.5 m-85 -104.31 135.12 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.6 t -134.88 135.04 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.32 64.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.99 169.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.68 160.15 26.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -73.8 -41.93 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -60.29 -44.47 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.517 ' HG2' HD11 ' A' ' 92' ' ' ILE . 1.8 ttt -62.48 -32.83 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -60.57 -25.8 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -70.09 -55.42 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 7.6 p -65.73 -37.43 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.723 HD13 ' CE2' ' A' ' 81' ' ' PHE . 58.4 mt -67.4 -49.76 68.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -62.42 -41.04 98.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.34 -49.59 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.0 m -61.31 -40.25 93.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -29.82 64.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.5 -34.81 60.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -26.75 54.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.43 -23.1 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -49.75 -30.75 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -51.99 -29.98 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -117.31 -22.31 8.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -144.19 85.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -51.27 -28.94 13.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.61 77.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 77' ' ' MET . 95.0 t -116.83 143.29 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -138.74 110.02 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 29.0 p -105.87 119.75 39.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -66.15 131.42 46.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.8 tpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.2 m -111.41 113.53 26.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.77 HD12 HG22 ' A' ' 65' ' ' VAL . 4.3 mm? -79.31 107.57 12.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -130.55 172.0 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.55 155.25 44.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.44 122.47 42.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -109.08 106.48 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -91.39 111.91 23.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.881 HD12 HD21 ' A' ' 33' ' ' LEU . 9.4 tt -124.95 122.17 62.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.56 100.64 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.15 171.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -51.51 -30.49 20.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.34 61.28 0.3 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -141.66 17.47 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 160.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.86 43.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.461 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.0 m -130.04 117.58 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.12 106.77 18.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' A' ' 53' ' ' ALA . 14.4 mt -106.92 107.91 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -83.2 117.97 23.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.6 132.92 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 24' ' ' ASP . 35.9 t -51.98 145.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.658 ' HG3' HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -54.81 -31.17 58.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 22' ' ' VAL . 18.5 t0 -70.17 -27.4 64.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -110.62 15.62 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.77 -56.51 11.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD13 ' CG1' ' A' ' 92' ' ' ILE . 6.6 tp -57.42 -43.36 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.93 -51.02 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -54.81 -48.98 72.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -61.55 -42.24 98.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -56.28 -49.55 73.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.1 -34.03 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' C ' HG22 ' A' ' 37' ' ' ILE . 28.9 t80 -59.2 -21.32 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -57.84 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 33' ' ' LEU . 15.7 tt -59.08 -34.12 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.524 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -61.68 -27.51 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.0 -25.53 66.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.18 164.82 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -112.44 44.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 m-20 -94.7 109.85 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -85.16 -21.22 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -68.76 -29.57 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 HD11 ' A' ' 36' ' ' ILE . 10.5 p -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 41.4 mmm -52.93 -51.89 59.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 49' ' ' ILE . 11.9 ptm -56.12 -45.75 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.7 -41.53 81.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CE2' HD23 ' A' ' 33' ' ' LEU . 64.6 t80 -65.93 -48.77 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt -55.14 -48.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t -72.72 -27.76 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -65.08 -48.0 75.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -87.24 -57.2 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -71.07 128.01 34.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -78.1 144.05 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.7 p -93.73 74.83 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -139.23 161.23 37.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -54.97 133.09 48.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 mp -89.24 129.28 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.2 mmm -122.18 157.85 57.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -16.85 37.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -35.56 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.44 145.69 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 3' ' ' LEU . 25.0 ttmt -115.56 134.51 54.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.71 128.97 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 3' ' ' LEU . 42.9 t -108.72 -23.59 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.83 160.32 24.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -127.48 140.65 52.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.079 HG13 HG12 ' A' ' 79' ' ' VAL . 90.2 t -126.83 106.01 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -89.42 115.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG23 HG12 ' A' ' 68' ' ' VAL . 72.7 t -132.01 109.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -126.15 118.95 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -71.07 -38.55 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -54.3 -53.07 58.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 75' ' ' LYS . 33.4 mttm -98.92 16.11 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 37.82 44.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.2 mt -102.97 115.22 30.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.13 95.29 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -122.27 115.89 23.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.079 HG12 HG13 ' A' ' 68' ' ' VAL . 22.6 m -108.22 135.05 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.8 t -150.21 107.34 3.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 92' ' ' ILE . 19.9 p90 -134.83 172.81 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.5 p -51.28 142.43 13.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.52 89.05 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' A' ' 92' ' ' ILE . 27.4 pt -83.63 -175.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.02 158.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -70.9 -42.09 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.17 -45.94 65.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.1 ttt -77.08 -39.42 49.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -56.73 -49.8 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -51.9 -44.44 63.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.405 HG12 HD11 ' A' ' 27' ' ' LEU . 65.9 t -62.3 -54.68 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 81' ' ' PHE . 19.3 mt -54.51 -48.39 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.1 tttm -58.28 -45.33 88.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.47 -50.12 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 m -58.54 -48.41 80.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 106' ' ' VAL . . . -64.73 -31.53 72.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.17 -35.32 68.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -56.84 -30.47 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.524 ' CE1' HG21 ' A' ' 37' ' ' ILE . 29.5 m-85 -57.45 -23.12 47.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -49.2 -31.47 8.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -51.57 -39.97 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -127.29 26.07 6.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.66 89.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -62.5 -17.26 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -109.85 81.5 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 96' ' ' ALA . 11.3 p -131.86 139.17 51.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.08 151.17 33.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 19.8 p -133.88 145.96 50.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 51.07 50.72 18.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 ptp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.77 131.45 34.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.92 107.49 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.663 ' C ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -119.11 144.53 46.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' HG13 ' A' ' 65' ' ' VAL . . . -108.35 144.87 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.5 mmt -94.12 129.47 40.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.668 ' CE2' HG11 ' A' ' 68' ' ' VAL . 2.6 t80 -123.33 106.33 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -94.6 98.17 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.012 HD12 HD11 ' A' ' 33' ' ' LEU . 11.6 tt -105.48 129.09 58.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.24 116.68 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 ttp -75.83 167.66 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 120.29 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.67 53.44 38.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.7 m -149.45 175.48 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -92.42 160.73 34.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 108.17 2.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.0 m -83.21 116.92 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.55 106.87 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.576 HG23 ' HB2' ' A' ' 53' ' ' ALA . 18.2 mt -111.68 113.87 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -90.41 117.21 28.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG11 ' HB3' ' A' ' 29' ' ' SER . 20.9 t -128.61 131.22 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' H ' ' A' ' 25' ' ' ARG . 16.8 m -57.92 147.77 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.618 ' HB2' HG11 ' A' ' 65' ' ' VAL . 2.3 ttp -56.28 -26.97 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -74.95 -24.45 58.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' H ' HG23 ' A' ' 22' ' ' VAL . 9.5 tpp85 -113.82 12.31 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -68.05 -56.37 9.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.607 HD13 HG12 ' A' ' 92' ' ' ILE . 15.3 tp -56.91 -45.03 82.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -61.29 -49.14 78.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.406 ' HB3' HG11 ' A' ' 21' ' ' VAL . 47.4 p -54.68 -46.06 74.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -63.84 -42.64 97.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -56.73 -50.19 72.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -70.96 -39.84 72.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.012 HD11 HD12 ' A' ' 9' ' ' ILE . 1.5 tp -54.08 -41.47 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -67.07 -20.79 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.32 -29.82 26.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD11 HG13 ' A' ' 44' ' ' VAL . 7.2 tt -91.1 -32.05 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.1 tp -60.92 -23.72 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -52.19 -29.86 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -106.65 163.01 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.1 46.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.76 114.74 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 m -85.03 -23.9 28.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.177 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.65 -28.44 69.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 HD11 ' A' ' 36' ' ' ILE . 14.5 p -90.91 -22.87 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.9 mtp -52.91 -52.04 59.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 49' ' ' ILE . 14.5 ptm -53.97 -46.79 71.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -58.67 -40.93 84.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CE2' HD12 ' A' ' 33' ' ' LEU . 58.6 t80 -66.75 -49.51 65.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 mt -54.99 -46.57 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -74.89 -27.27 60.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.79 -48.02 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -89.28 -54.59 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 19' ' ' ILE . . . -78.71 111.51 14.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -71.5 138.22 48.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.8 p -87.29 73.41 9.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.0 173.73 8.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -81.31 115.92 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.2 tp -71.07 132.82 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtt -101.33 160.6 26.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.568 0.699 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.95 30.28 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.662 2.242 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.0 -39.25 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.38 131.29 45.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -114.34 155.02 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.777 HG21 ' CE2' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -76.32 142.35 41.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.111 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.663 HG12 ' C ' ' A' ' 4' ' ' CYS . 10.0 p -117.17 -16.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.35 159.9 23.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.777 ' CE2' HG21 ' A' ' 64' ' ' THR . 20.4 m-85 -127.3 132.79 50.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 7' ' ' TYR . 76.2 t -131.17 133.21 62.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.1 t -119.38 115.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -123.49 112.58 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -129.33 110.06 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.34 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -78.51 -35.07 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -93.52 -13.6 27.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.636 ' O ' HD23 ' A' ' 76' ' ' LEU . 16.2 ttpt 63.51 57.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 75' ' ' LYS . 13.9 mt -140.88 118.8 11.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -127.35 98.44 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 151.36 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.602 ' CG2' HG22 ' A' ' 108' ' ' THR . 17.7 m -146.31 128.26 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 m -147.22 96.72 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.665 ' CZ ' HD13 ' A' ' 92' ' ' ILE . 7.6 p90 -120.66 172.6 7.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 t -51.29 144.6 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -62.28 104.9 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.606 HD12 ' CB ' ' A' ' 88' ' ' MET . 26.0 pt -100.86 -178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -52.08 165.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -75.06 -40.03 60.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.03 -53.08 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.606 ' CB ' HD12 ' A' ' 84' ' ' ILE . 1.6 mtp -57.42 -32.12 66.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -63.09 -25.75 68.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -69.75 -55.48 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.16 -37.94 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.665 HD13 ' CZ ' ' A' ' 81' ' ' PHE . 70.9 mt -67.43 -43.82 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.068 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -65.54 -41.33 93.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.73 -50.14 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 30.5 m -61.13 -41.95 97.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.69 82.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -71.16 -34.16 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -62.72 -31.75 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CE1' HG21 ' A' ' 37' ' ' ILE . 2.9 m-85 -56.05 -21.79 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -48.69 -28.59 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -51.34 -30.8 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -127.69 0.39 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.62 78.73 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -51.14 -30.11 15.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -72.35 79.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.9 t -113.17 134.63 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -142.09 136.72 30.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.602 HG22 ' CG2' ' A' ' 79' ' ' VAL . 20.6 p -132.29 148.72 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -96.7 108.36 20.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.831 0.348 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.8 m -110.68 138.89 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.46 HD12 ' HB3' ' A' ' 63' ' ' LYS . 11.9 tp -121.02 140.48 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.9 m -145.98 161.82 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.662 ' HB2' ' CG1' ' A' ' 65' ' ' VAL . . . -118.42 145.34 45.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.8 mmt -93.96 123.17 37.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CE1' HG11 ' A' ' 68' ' ' VAL . 0.4 OUTLIER -113.03 110.3 20.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.51 118.87 34.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.053 HD12 HD21 ' A' ' 33' ' ' LEU . 10.8 tt -129.62 127.22 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 t -134.02 94.86 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 ttp -64.23 165.59 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.15 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.07 51.59 49.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -135.71 8.15 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 m80 62.38 160.81 0.12 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.825 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 129.15 17.08 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 9' ' ' ILE . 85.1 m -115.16 118.13 32.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -86.96 106.76 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mt -108.15 114.52 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -88.04 123.89 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 26' ' ' PHE . 21.3 t -122.07 147.95 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.99 155.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -15.56 55.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -110.61 2.24 18.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -118.68 -16.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HA ' HG11 ' A' ' 21' ' ' VAL . 2.9 p90 -48.98 -34.04 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -55.03 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.53 -41.75 77.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -61.58 -48.81 79.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' HZ ' HG11 ' A' ' 79' ' ' VAL . 1.4 t80 -59.75 -42.53 93.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 t -60.42 -49.93 75.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -66.66 -29.82 69.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.053 HD21 HD12 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -66.18 -46.31 77.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 37' ' ' ILE . 16.2 t80 -57.53 -21.54 38.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -60.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 33' ' ' LEU . 17.6 tt -55.12 -35.97 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.3 tp -53.67 -28.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -71.71 -35.25 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -83.48 -176.45 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -131.27 29.54 4.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.23 108.84 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -84.93 -55.68 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -57.3 -25.01 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.51 -20.36 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.164 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.419 ' HG2' HD11 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.9 -51.98 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.416 ' HA ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -56.08 -40.35 73.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -61.46 -42.57 98.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -66.48 -48.67 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.4 mt -56.15 -47.07 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.9 t -73.84 -27.23 61.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -65.57 -47.92 74.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -87.98 -55.78 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -74.86 152.23 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -102.67 146.9 27.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.9 p -97.47 77.94 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -156.95 168.95 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -62.55 151.83 36.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.7 mt -114.42 109.5 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -71.8 160.5 82.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 110.904 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.39 24.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -51.65 -29.92 19.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.25 124.42 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HB3' HD12 ' A' ' 3' ' ' LEU . 39.6 tttm -105.65 148.21 27.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.742 HG21 ' CE1' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -83.56 139.06 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.662 ' CG1' ' HB2' ' A' ' 5' ' ' ALA . 7.7 p -109.9 -5.36 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.18 156.34 8.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.742 ' CE1' HG21 ' A' ' 64' ' ' THR . 18.5 m-85 -123.24 120.38 32.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.022 HG13 HG12 ' A' ' 79' ' ' VAL . 88.7 t -100.68 136.26 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -120.68 115.09 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG11 HD13 ' A' ' 37' ' ' ILE . 93.6 t -125.27 109.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -115.82 111.78 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.71 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -51.78 -51.19 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -98.68 -5.06 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 59.63 44.06 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.799 HD23 ' HG3' ' A' ' 105' ' ' LYS . 6.4 mt -103.26 134.59 46.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.459 ' CB ' HG23 ' A' ' 106' ' ' VAL . 0.3 OUTLIER -122.54 112.51 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -142.11 103.8 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.022 HG12 HG13 ' A' ' 68' ' ' VAL . 13.5 m -111.04 137.41 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.4 p -119.03 96.88 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.11 137.64 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -81.08 -173.45 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -52.7 107.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.3 pt -126.78 179.73 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -70.49 151.53 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.44 -42.95 95.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -63.9 -49.21 73.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -44.38 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -56.64 -37.53 70.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -62.31 -52.97 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.59 -56.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mt -57.3 -38.03 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -65.33 -35.87 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -49.69 31.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -60.76 -38.93 86.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.53 61.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -66.49 -32.0 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -54.33 -26.73 31.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -55.91 -23.19 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -48.62 -31.78 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -52.8 -39.25 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -127.16 26.27 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.0 82.47 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -56.59 -21.64 28.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.799 ' HG3' HD23 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -95.92 70.2 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 77' ' ' MET . 13.7 p -120.64 135.08 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -146.0 147.2 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.595 HG22 HG22 ' A' ' 79' ' ' VAL . 16.9 p -140.26 142.56 35.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -98.97 163.6 12.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.2 ttp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -106.27 148.01 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.462 HD13 ' SD ' ' A' ' 23' ' ' MET . 19.8 mt -100.41 110.2 22.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' VAL . 17.7 p -109.59 161.55 15.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.23 140.44 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.84 122.64 42.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -119.69 106.38 12.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -95.66 101.6 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.113 HD12 HD21 ' A' ' 33' ' ' LEU . 11.7 tt -109.75 129.92 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.19 90.41 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 174.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.87 102.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.61 50.53 60.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.446 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -125.93 14.32 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.807 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 62.44 160.75 0.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.77 23.98 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 9' ' ' ILE . 98.8 m -119.63 115.02 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.94 106.88 15.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 18.5 mt -110.73 114.19 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 t -89.52 115.34 26.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG12 ' HB3' ' A' ' 25' ' ' ARG . 41.6 t -121.96 137.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.1 t -51.84 148.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.677 ' HG3' HG11 ' A' ' 65' ' ' VAL . 7.3 ttp -52.95 -52.84 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.8 -25.88 68.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB3' HG12 ' A' ' 21' ' ' VAL . 19.1 tpp180 -91.64 7.57 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.15 -55.85 21.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' HG3' ' A' ' 88' ' ' MET . 19.4 tp -55.74 -38.92 70.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.41 -50.41 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -48.93 76.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.91 -42.23 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -57.81 -50.73 72.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.89 -30.5 69.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -64.15 -45.46 88.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' C ' HG22 ' A' ' 37' ' ' ILE . 23.7 t80 -58.57 -21.54 53.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.47 -61.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -38.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.5 ' HB ' HD13 ' A' ' 33' ' ' LEU . 3.5 tp -55.44 -29.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -95.69 31.75 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.23 150.93 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -87.94 54.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.58 87.21 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.5 p -84.99 -50.96 7.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.11 -23.32 54.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.37 -15.9 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 ttt -52.9 -52.06 59.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -55.65 -45.93 77.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -64.5 -36.06 82.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.59 -41.09 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.2 mt -71.41 -38.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 t -76.62 -25.2 53.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -79.35 -48.06 14.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -81.12 -50.12 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -91.69 170.19 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.078 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 61.91 56.44 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 p -103.05 -25.01 13.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -139.5 175.27 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -99.75 38.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 mm -113.4 152.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.464 ' N ' ' HD2' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -179.37 -61.11 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 110.932 179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 59' ' ' MET . 53.8 Cg_endo -69.79 -8.2 23.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -103.01 -53.22 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -56.33 176.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -129.83 153.95 47.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 102.14 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG11 ' HG3' ' A' ' 23' ' ' MET . 10.1 p -77.2 -15.29 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.6 158.03 17.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -131.74 146.26 52.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.588 HG13 HG12 ' A' ' 79' ' ' VAL . 68.8 t -131.1 121.66 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -97.17 115.45 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.58 115.27 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -130.01 118.33 21.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.81 -55.05 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.055 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.13 -51.15 70.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -74.53 -20.45 59.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' O ' HD23 ' A' ' 76' ' ' LEU . 50.6 mmtt 61.37 60.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 75' ' ' LYS . 10.8 mt -131.97 128.17 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.963 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.23 116.96 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -141.45 127.18 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.621 ' CG2' HG22 ' A' ' 108' ' ' THR . 18.2 m -120.84 122.04 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.8 t -136.67 96.93 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.73 ' CE2' HD13 ' A' ' 84' ' ' ILE . 24.5 p90 -141.04 152.71 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 t -123.19 -175.54 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.71 60.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.73 HD13 ' CE2' ' A' ' 81' ' ' PHE . 6.9 pt -143.86 177.46 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.93 161.79 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.94 -41.08 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -65.48 -26.35 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.613 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -70.83 -27.89 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -60.8 -25.7 66.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -65.26 -55.73 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.77 -36.09 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.603 HD13 ' HZ ' ' A' ' 81' ' ' PHE . 31.7 mt -67.75 -47.7 78.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -64.52 -43.46 93.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.4 -50.15 74.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 92.7 m -63.22 -37.55 87.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.65 65.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -74.79 -36.89 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -53.91 -28.57 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.68 -23.54 52.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.656 ' HG2' HG21 ' A' ' 106' ' ' VAL . 2.6 mmmm -50.63 -30.99 14.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -52.94 -38.5 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.06 26.0 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.491 ' O ' HG23 ' A' ' 106' ' ' VAL . . . -175.38 80.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -51.57 -30.36 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -75.04 85.04 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 100' ' ' LYS . 95.7 t -122.38 139.56 48.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -146.54 135.46 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.621 HG22 ' CG2' ' A' ' 79' ' ' VAL . 70.5 p -134.3 120.54 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.63 138.35 54.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.909 0.385 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -95.81 145.85 25.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.562 HD22 ' CG1' ' A' ' 65' ' ' VAL . 54.6 mt -120.74 107.7 13.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.707 ' O ' HG22 ' A' ' 65' ' ' VAL . 22.5 m -124.48 154.95 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -131.63 145.39 51.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 mmt -97.09 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -103.14 106.51 17.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -93.77 111.77 23.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.979 HD12 HD11 ' A' ' 33' ' ' LEU . 10.5 tt -120.73 130.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.05 87.53 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ttp -83.76 135.32 34.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 51.62 42.12 29.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.61 43.58 59.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 m -94.77 38.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.2 m80 64.48 153.65 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 98.15 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' HG23 ' A' ' 9' ' ' ILE . 99.3 m -76.93 114.5 15.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.94 106.87 13.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 19.3 mt -111.6 101.88 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -80.43 113.8 18.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.93 138.04 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' H ' ' A' ' 25' ' ' ARG . 19.4 m -63.37 141.81 17.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.619 ' HB2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.04 -28.4 57.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.63 -25.43 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' H ' HG23 ' A' ' 22' ' ' VAL . 18.9 mmt85 -121.93 14.74 10.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' HG21 ' A' ' 68' ' ' VAL . 10.9 t80 -63.34 -56.58 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.795 HD13 HG12 ' A' ' 92' ' ' ILE . 8.6 tp -55.95 -43.18 77.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -59.83 -48.14 82.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -58.13 -44.49 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -62.28 -42.93 99.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -50.54 73.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -66.96 -43.14 83.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.979 HD11 HD12 ' A' ' 9' ' ' ILE . 1.8 tp -53.93 -42.53 68.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -66.43 -20.73 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -29.81 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 tt -91.17 -32.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 99' ' ' PHE . 1.5 tp -60.84 -26.5 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -56.38 -28.0 57.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -102.95 179.63 4.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -108.06 36.68 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -66.17 99.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -85.01 -29.05 25.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.47 -44.65 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.36 -21.05 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 mtp -52.85 -52.15 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 ttp -57.06 -57.9 10.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -53.54 -34.69 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -67.84 -47.58 68.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 9.1 mt -60.87 -40.99 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -77.13 -27.47 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.82 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -68.94 -48.12 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -86.26 -51.55 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -88.3 162.83 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 63.25 54.46 2.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 p -113.57 -25.05 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -141.57 179.46 6.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -88.89 152.6 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.5 mm -103.89 145.39 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.7 mtt -119.21 160.55 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -20.45 34.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.679 2.253 . . . . 0.0 112.389 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -96.1 34.86 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.59 138.06 31.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -102.38 142.43 33.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 m -92.67 102.01 14.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.707 HG22 ' O ' ' A' ' 4' ' ' CYS . 12.7 m -64.44 -18.92 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -164.28 28.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -150.02 160.49 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.397 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 ' CG1' ' A' ' 79' ' ' VAL . 95.0 t -131.23 120.33 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.42 128.15 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.699 HG13 ' HE1' ' A' ' 77' ' ' MET . 90.9 t -143.94 109.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.518 HD22 HD12 ' A' ' 76' ' ' LEU . 6.6 m-20 -132.31 112.71 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.8 -47.85 43.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.91 -48.06 69.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -74.53 -19.41 60.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.711 ' O ' HD23 ' A' ' 76' ' ' LEU . 49.3 mttm 63.55 56.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 75' ' ' LYS . 14.1 mt -134.42 123.04 23.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 70' ' ' VAL . 59.7 mmm -129.79 113.81 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.5 153.08 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.556 ' CG1' HG22 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -143.68 122.98 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.2 t -140.77 105.82 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 18.8 p90 -139.64 169.2 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.7 t -50.18 140.18 13.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.68 90.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.692 HD11 ' CD1' ' A' ' 92' ' ' ILE . 25.8 pt -83.31 -175.55 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -50.54 153.78 1.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -71.7 -41.5 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -51.38 -36.07 41.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.53 ' SD ' HD12 ' A' ' 84' ' ' ILE . 3.1 ttm -77.05 -35.2 56.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -57.38 -25.42 59.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -64.91 -55.59 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.96 -33.17 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.795 HG12 HD13 ' A' ' 27' ' ' LEU . 97.2 mt -70.38 -45.33 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -67.18 -40.1 86.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -49.77 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.1 m -62.46 -42.43 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.12 -30.56 66.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.11 -35.83 64.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -54.95 -29.88 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -57.25 -23.51 48.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -50.58 -30.76 13.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -51.91 -36.13 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -127.21 26.13 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.36 79.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -50.84 -31.06 16.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.481 ' HE2' HD22 ' A' ' 76' ' ' LEU . 2.5 tmtm? -75.97 79.47 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.64 137.3 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -145.16 109.98 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.5 p -110.66 122.75 48.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -52.04 149.62 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.33 107.95 19.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.804 HD22 HG22 ' A' ' 65' ' ' VAL . 27.8 mt -82.54 109.52 16.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.7 p -141.79 163.06 33.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 66' ' ' GLY . . . -119.43 157.99 27.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.91 136.35 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.432 ' CE2' HG11 ' A' ' 68' ' ' VAL . 3.1 t80 -126.82 106.28 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.28 91.04 8.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.79 HD12 HD21 ' A' ' 33' ' ' LEU . 12.0 tt -97.62 130.34 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.12 110.94 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.4 154.75 40.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 72' ' ' ALA . . . -52.02 106.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.98 45.2 7.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 m -153.67 141.08 19.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -51.6 157.03 1.98 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 140.36 42.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.9 m -118.11 119.43 34.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.4 106.85 18.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.517 HG23 ' HB2' ' A' ' 53' ' ' ALA . 13.0 mt -107.65 119.89 58.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -91.68 118.15 30.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.603 HG11 ' HB2' ' A' ' 29' ' ' SER . 16.9 t -126.77 125.57 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 m -51.98 145.28 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.503 ' HB3' HG21 ' A' ' 65' ' ' VAL . 2.3 ptt? -58.53 -22.24 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -74.43 -20.82 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.12 19.04 11.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -63.34 -56.3 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 92' ' ' ILE . 7.8 tp -55.67 -51.13 68.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.23 -43.82 83.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.603 ' HB2' HG11 ' A' ' 21' ' ' VAL . 2.9 t -56.54 -50.6 71.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 96' ' ' ALA . 8.4 t80 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -56.29 -48.57 76.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.46 -29.84 64.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -60.45 -49.97 75.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.598 ' O ' HG22 ' A' ' 37' ' ' ILE . 34.1 t80 -55.38 -21.3 14.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.92 -50.66 6.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.542 HG22 ' HA ' ' A' ' 33' ' ' LEU . 18.1 tt -71.05 -9.28 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 34' ' ' TYR . 3.0 tp -81.74 9.07 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -116.29 81.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 69.73 81.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -133.25 79.77 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -46.17 155.13 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -54.26 -25.89 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -53.97 -46.44 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.22 -25.26 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.83 -50.66 63.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.3 tpt -50.98 -45.48 61.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.27 -43.61 88.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -65.73 -48.33 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 81.0 mt -54.74 -46.7 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 m -76.27 -24.35 54.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -70.17 -47.94 59.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -89.37 -52.44 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 49' ' ' ILE . . . -84.03 133.47 34.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -76.72 -14.36 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p 50.03 42.77 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -94.24 -177.15 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.29 154.07 42.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 mp -102.99 129.77 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 3.6 mtt -137.81 160.6 64.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.567 0.699 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.19 37.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.62 2.213 . . . . 0.0 112.344 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.3 -45.62 80.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -65.81 170.46 5.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -143.02 146.96 34.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.42 125.56 31.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.804 HG22 HD22 ' A' ' 3' ' ' LEU . 29.2 t -103.58 -15.3 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' O ' ' HB1' ' A' ' 5' ' ' ALA . . . 175.73 159.53 21.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -131.83 137.15 47.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 HG12 ' A' ' 79' ' ' VAL . 94.2 t -130.69 113.65 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -96.41 115.88 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.5 t -123.96 112.18 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -125.53 108.49 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' N ' ' A' ' 12' ' ' ALA . . . -73.83 -29.13 61.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -52.29 60.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.24 -6.02 55.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' O ' HD23 ' A' ' 76' ' ' LEU . 74.0 mttt 58.97 60.93 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 75' ' ' LYS . 19.5 mt -130.38 125.47 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.553 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 tmm? -121.55 116.17 24.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.9 m -131.65 127.89 37.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.703 HG12 HG13 ' A' ' 68' ' ' VAL . 21.0 m -129.75 123.74 57.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -143.32 98.21 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 92' ' ' ILE . 11.7 p90 -123.65 170.82 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 84' ' ' ILE . 2.9 t -50.65 133.21 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.86 107.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 82' ' ' SER . 30.4 pt -102.76 -175.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -51.38 139.67 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.64 -39.64 92.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -52.17 -37.07 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.3 tpp -77.16 -27.86 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -56.76 -35.76 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -60.09 -55.14 37.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.26 -52.71 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.678 HG12 HD13 ' A' ' 27' ' ' LEU . 67.8 mt -55.99 -45.35 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.23 -42.45 95.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.56 -50.11 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 96.2 m -57.57 -52.89 63.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.553 ' HB1' ' CE ' ' A' ' 77' ' ' MET . . . -64.51 -27.85 69.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -72.4 -36.98 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.58 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -57.24 -23.8 50.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.452 ' HG2' HG23 ' A' ' 106' ' ' VAL . 37.2 mttt -56.43 -24.86 48.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.04 -23.7 55.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.11 26.5 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -166.4 -35.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.38 24.63 8.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.949 0.404 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -144.21 92.74 2.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.526 HG13 ' CE ' ' A' ' 77' ' ' MET . 85.6 t -125.76 139.75 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.43 109.89 4.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.652 HG22 ' CG2' ' A' ' 79' ' ' VAL . 26.3 p -104.52 144.93 31.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -98.61 104.69 16.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.995 . . . . . . . . 0 0 . 1 stop_ save_